SCHEMBL7014075

SCHEMBL7014075

O=[N+]([O-])c1cccc2c1CCC[CH]2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 2/20 0.41
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
S100A4 P26447 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PNMT P11086 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL7469716 0.89 TDP1 (0.45) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL28369479 0.76 TDP1 (0.42) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL2243721 0.73 MEN1 (0.48) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL6688479 0.73 MAPT (0.51) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL31180267 0.73 MAPT (0.51) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL31207333 0.73 MEN1 (0.48) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL4689264 0.71 MAPT (0.50) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL28327167 0.71 TDP1 (0.41) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL9452622 0.71 MAPT (0.47) MAPTTDP1TSHRSMN1; SMN2GPR35
SCHEMBL30503607 0.71 MAPT (0.47) MAPTTDP1TSHRSMN1; SMN2GPR35

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
EP-1345888-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE Bayer Aktiengesellschaft (DE) 2003-09-24 EP disclosed
WO-2002051792-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed