SCHEMBL6572432

SCHEMBL6572432

Nc1ccc(NCCO)cc1-c1ccccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
NR1I2 O75469 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 4/20 0.37
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
APAF1 O14727 2/20 0.37
TDP2 O95551 2/20 0.37
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CASP6 P55212 3/20 0.36
MEN1 O00255 3/20 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
SCHEMBL6571844 0.89 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMAPK1GAA
SCHEMBL6573143 0.85 FCGR3B (0.36) ALDH1A1MAPTKDM4EGAACASP6
SCHEMBL6572457 0.85 ALOX5 (0.36) ALDH1A1MAPTKDM4EGAACASP6
SCHEMBL6572293 0.84 PDE10A (0.36) ALDH1A1MAPTKDM4EGAAL3MBTL1
SCHEMBL6573074 0.84 ALDH1A1 (0.42) BRD4ALDH1A1MAPTKDM4EMAPK1
SCHEMBL6572283 0.83 PTGER4 (0.39) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL6572585 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EMAPK1GAAL3MBTL1
SCHEMBL6572467 0.83 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EGAACASP6
SCHEMBL6570757 0.81 FCGR3B (0.39) ALDH1A1MAPTKDM4EMAPK1GAA
SCHEMBL6573246 0.80 GAA (0.43) NR1I2ALDH1A1MAPTKDM4EMAPK1

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