SCHEMBL6687191

SCHEMBL6687191

CCCCCNCc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25C P30307 1/20 0.54
CHRM2 P08172 1/20 0.48
APP P05067 1/20 0.46
MGLL Q99685 1/20 0.45
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CYP19A1 P11511 2/20 0.44
ALB P02768 1/20 0.44
ITGA4 P13612 3/20 0.43
ITGB7 P26010 3/20 0.43
ERN1 O75460 1/20 0.43
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CTSB P07858 1/20 0.43
CA1 P00915 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
SCHEMBL6684448 0.85 CHRM2 (0.49) CHRM2MGLLALDH1A1TAAR1CYP19A1
SCHEMBL6412685 0.84 CDC25C (0.53) CDC25CAPPMEN1CRHBPKMT2A
SCHEMBL11509750 0.84 APP (0.56) CDC25CAPPMEN1CRHBPKMT2A
SCHEMBL9827648 0.82 CDC25C (0.55) CDC25CAPPMEN1CRHBPKMT2A
SCHEMBL899648 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1ERN1CTSB
SCHEMBL899647 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1ERN1CTSB
SCHEMBL8398671 0.80 TDP1 (0.49) MEN1KMT2AALDH1A1CYP19A1CTSB
SCHEMBL28026694 0.80 TDP1 (0.49) MEN1KMT2AALDH1A1CYP19A1CTSB
SCHEMBL27556368 0.80 ALDH1A1 (0.51) CDC25CALDH1A1ERN1CTSBGAA
SCHEMBL6688354 0.78 ALDH1A1 (0.53) MGLLKMT2AALDH1A1TAAR1CYP19A1

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 12 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-A1 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof Wella Aktiengesellschaft (DE) 2003-05-14 EP claimed
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 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
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-A3 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) 2002-02-06 EP 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
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