SCHEMBL2215516

SCHEMBL2215516

O=C(Cl)CCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Aluminum Chloride Anhydrous SCHEMBL27692479 0.95 ALDH1A1 (0.51) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL7731637 0.95 ALDH1A1 (0.54) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL7732675 0.94 ALDH1A1 (0.53) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL1573285 0.90 ALDH1A1 (0.59) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL28766884 0.87 ALDH1A1 (0.53) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL4657892 0.85 ALDH1A1 (0.53) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL1352270 0.85 ALDH1A1 (0.53) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL4659331 0.85 ALDH1A1 (0.53) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL27930026 0.83 ALDH1A1 (0.51) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL7732980 0.83 ALDH1A1 (0.51) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369412-B1 Process for the preparation of 5-nitro-3,4-dihydro-1(2H)-naphthalenone, 1,5-naphthalendiamine and 1,5-naphthalendiisocyanate BAYER MATERIALSCIENCE AG (DE) 2011-07-27 EP claimed
CN-100343225-C Process for producing 5-nitro-3,4-dihydro-1(2h)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER AG (DE) 2007-10-17 CN claimed
US-7202378-B2 Process for producing 5-nitro-3,4-dihydro-1(H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AG (DE) 2007-04-10 US claimed
US-7202384-B2 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-10 US claimed
US-20060183946-A1 Process for producing 5-nitro-3,4-dihydro-1(H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2006-08-17 US claimed
US-20060178526-A1 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2006-08-10 US claimed
US-7057071-B2 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AG (DE) 2006-06-06 US claimed
CN-1467195-A Process for producing 5-nitro-3,4-dihydro-1(2h)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate 2004-01-14 CN claimed
US-20030229252-A1 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2003-12-11 US claimed
CN-100343225-C Process for producing 5-nitro-3,4-dihydro-1(2h)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER AG (DE) 2007-10-17 CN disclosed
US-7202384-B2 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-10 US disclosed
US-7202378-B2 Process for producing 5-nitro-3,4-dihydro-1(H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AG (DE) 2007-04-10 US disclosed
US-20060183946-A1 Process for producing 5-nitro-3,4-dihydro-1(H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2006-08-17 US disclosed
US-20060178526-A1 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2006-08-10 US disclosed
US-7057071-B2 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AG (DE) 2006-06-06 US disclosed
CN-1467195-A Process for producing 5-nitro-3,4-dihydro-1(2h)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate 2004-01-14 CN disclosed
US-20030229252-A1 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2003-12-11 US disclosed
US-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US disclosed