SCHEMBL6684448

SCHEMBL6684448

CCCCCNCc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
ALDH1A1 P00352 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CYP19A1 P11511 2/20 0.45
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
MGLL Q99685 1/20 0.43
TSHR P16473 1/20 0.43
TBXA2R P21731 5/20 0.42
S1PR4 O95977 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6687191 0.85 CDC25C (0.54) CHRM2ALDH1A1TAAR1CYP19A1CA12
SCHEMBL6549530 0.81 TDP1 (0.50) ALDH1A1CYP19A1CYP3A4TDP1HTT
SCHEMBL11783489 0.80 KCNH2 (0.49) ALDH1A1CYP19A1CYP3A4TDP1HTT
SCHEMBL3477025 0.80 KCNH2 (0.49) ALDH1A1CYP19A1CYP3A4TDP1HTT
SCHEMBL6688354 0.80 ALDH1A1 (0.53) ALDH1A1TAAR1CYP19A1MGLLTBXA2R
SCHEMBL7921397 0.79 TDP1 (0.51) ALDH1A1CYP19A1CYP3A4TDP1HTT
SCHEMBL6272594 0.79 HRH4 (0.46) CHRM2ALDH1A1CA12CA2CA9
Hydrochloric Acid SCHEMBL6685629 0.78 CYP1A2 (0.45) CHRM2ALDH1A1TDP1POLBTSHR
Hydrochloric Acid SCHEMBL6270325 0.78 CYP1A2 (0.45) CHRM2ALDH1A1TDP1POLBTSHR
SCHEMBL460989 0.77 HTT (0.66) ALDH1A1CYP3A4TDP1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310479-B1 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof WELLA AG (DE) 2004-10-27 EP claimed
EP-1310479-B1 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof WELLA AG (DE) 2004-10-27 EP disclosed
EP-1310479-A1 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof Wella Aktiengesellschaft (DE) 2003-05-14 EP disclosed
US-6461390-B1 Process for making 2-aminomethyl-1, 4-diaminobenzene and its salts and compositions and methods for dyeing keratin fibers using same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
US-6461390-B1 Process for making 2-aminomethyl-1, 4-diaminobenzene and its salts and compositions and methods for dyeing keratin fibers using same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
EP-1110942-A2 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof, and their use in dyeing composition for keratin fibers Wella Aktiengesellschaft (DE) 2001-06-27 EP disclosed
JP-2001172231-A METHOD FOR PRODUCING 2-AMINOMETHYL-1,4-DIAMINO-BENZENE AND ITS SALT AND USE OF THESE COMPOUNDS AS DYEING AGENT FOR KERATIN FIBER WELLA AG 2001-06-26 JP disclosed