SCHEMBL6571844

SCHEMBL6571844

Nc1ccccc1-c1cc(NCCO)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
KDM4E B2RXH2 5/20 0.39
GAA P10253 5/20 0.39
MAPK1 P28482 4/20 0.39
MAPT P10636 3/20 0.39
APAF1 O14727 2/20 0.39
TDP2 O95551 2/20 0.39
LMNA P02545 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CASP6 P55212 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
MMP14 P50281 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6572432 0.89 BRD4 (0.38) ALDH1A1L3MBTL1KDM4EGAAMAPK1
SCHEMBL6573074 0.88 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EGAAMAPK1
SCHEMBL6572585 0.87 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EGAAMAPK1
SCHEMBL6570757 0.85 FCGR3B (0.39) ALDH1A1L3MBTL1KDM4EGAAMAPK1
SCHEMBL6573246 0.84 GAA (0.43) ALDH1A1L3MBTL1KDM4EGAAMAPK1
SCHEMBL6572347 0.84 FCGR3B (0.36) ALDH1A1GAACASP6MEN1KMT2A
SCHEMBL6572467 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTCASP6
SCHEMBL6572728 0.80 FCGR3B (0.38) ALDH1A1MAPTCASP6MEN1KMT2A
SCHEMBL6573372 0.80 MALT1 (0.42) ALDH1A1L3MBTL1KDM4EMAPTLMNA
SCHEMBL6573143 0.80 FCGR3B (0.36) ALDH1A1KDM4EGAAMAPTCASP6

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