SCHEMBL6572457

SCHEMBL6572457

Nc1ccc(NCCO)cc1-c1ccc(O)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
EGFR P00533 5/20 0.35
SNCA P37840 1/20 0.34
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
HIF1A Q16665 1/20 0.34
TYR P14679 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 2/20 0.33
RGS12 O14924 1/20 0.32
LCK P06239 1/20 0.32

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
SCHEMBL6572467 0.92 ALDH1A1 (0.37) HSP90AA1HSP90AB1EGFRALDH1A1TDP1
SCHEMBL6573143 0.88 FCGR3B (0.36) ALDH1A1CYP3A4KDM4EGAAMAPT
SCHEMBL6572432 0.85 BRD4 (0.38) HSP90AA1HSP90AB1ALDH1A1THRBALOX15
SCHEMBL6572942 0.84 APP (0.41) EGFRALDH1A1TDP1CYP3A4THRB
SCHEMBL6570977 0.83 PTGER4 (0.39) HSP90AA1HSP90AB1EGFRALDH1A1TDP1
SCHEMBL6570757 0.81 FCGR3B (0.39) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL6572293 0.81 PDE10A (0.36) SNCAALDH1A1TDP1CYP3A4THRB
SCHEMBL6571914 0.80 HSP90AA1 (0.33) ALOX5HSP90AA1HSP90AB1EGFRSNCA
SCHEMBL6574702 0.80 ABL1 (0.36) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL6572347 0.80 FCGR3B (0.36) ALDH1A1GLAGAAKMT2AMEN1

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