SCHEMBL5333511

SCHEMBL5333511

NC1CCCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR35 Q9HC97 1/20 0.38
RECQL P46063 1/20 0.37
MCL1 Q07820 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL29325249 0.95 MAPT (0.43) MAPTALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL30002911 0.94 MAPT (0.43) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL35212403 0.90 ACHE (0.43) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL7871363 0.90 ACHE (0.43) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL18339812 0.81 KMT2A (0.45) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL2215346 0.81 MAPT (0.41) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL12676966 0.79 MEN1 (0.40) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL8570303 0.78 MEN1 (0.42) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL8564044 0.78 MEN1 (0.42) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL29325254 0.77 MAPT (0.43) MAPTALDH1A1KDM4EKMT2AMEN1

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
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-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-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
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-1301245-C Method for producing 1, 5-diaminonaphthalene MITSUI CHEMICALS INC (JP) 2007-02-21 CN disclosed
CN-1692097-A Method for producing 1, 5-diaminonaphthalene MITSUI CHEMICALS INC (JP) 2005-11-02 CN disclosed