SCHEMBL6571342

SCHEMBL6571342

Nc1ccc(NCCO)c(-c2ccc(O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 3/20 0.40
ALDH1A1 P00352 2/20 0.38
THRB P10828 2/20 0.38
CYP3A4 P08684 2/20 0.38
CA3 P07451 1/20 0.38
ALOX15 P16050 1/20 0.38
CA6 P23280 1/20 0.38
CASP1 P29466 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TNIK Q9UKE5 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37

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
SCHEMBL6571957 0.92 PRSS1 (0.38) ALDH1A1CYP3A4KDM4EPRSS1TP53
SCHEMBL6573241 0.89 ABCB1 (0.36) ALDH1A1CYP3A4ALOX15HIF1AKDM4E
SCHEMBL6572152 0.88 JAK2 (0.34) ALDH1A1CYP3A4ALOX15HIF1ACA14
SCHEMBL6571430 0.87 PRSS1 (0.37) ALDH1A1PRSS1TSHRTDP1
SCHEMBL6571157 0.86 TDO2 (0.38) ALDH1A1CYP3A4CLK1DYRK1AAPP
SCHEMBL6572117 0.86 FCGR3B (0.36) KDM4EGLAPRSS1TSHRTDP1
SCHEMBL6573032 0.86 ALDH1A1 (0.38) ALDH1A1CASP1HSD17B10KDM4EGAA
SCHEMBL6570671 0.86 CYP1A2 (0.43) ALDH1A1ALOX15KDM4EPRSS1MAPT
SCHEMBL6571420 0.86 MKNK1 (0.37) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL6570922 0.85 PTGDR2 (0.44) ALDH1A1ALOX15KDM4EGLAGAA

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