SCHEMBL6571744

SCHEMBL6571744

COc1ccc(-c2cc(N)ccc2NCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.43
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
CASP6 P55212 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
ACR P10323 1/20 0.40

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
SCHEMBL6572442 0.90 ABL1 (0.40) RPS6KA2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6572731 0.87 PTGER4 (0.46) RPS6KA2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6572487 0.87 ALDH1A1 (0.44) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL6571957 0.86 PRSS1 (0.38) ALDH1A1KDM4ETP53TDP1KMT2A
SCHEMBL6574899 0.86 TDP1 (0.47) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6572745 0.84 RAD52 (0.41) RPS6KA2ALDH1A1HPGDMEN1KMT2A
SCHEMBL7684990 0.84 GBA1 (0.45) RPS6KA2ALDH1A1HPGDRAB9AMAPK1
SCHEMBL6573032 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6571342 0.82 USP7 (0.40) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL6571430 0.82 PRSS1 (0.37) ALDH1A1TDP1KMT2ACYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed