SCHEMBL6570977

SCHEMBL6570977

COCCNc1ccc(N)c(-c2ccc(O)cc2O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
EGFR P00533 8/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
HKDC1 Q2TB90 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
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
NCF1 P14598 1/20 0.33
TYR P14679 1/20 0.33

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
SCHEMBL6573643 0.93 PTGER4 (0.42) PTGER4EGFRALDH1A1MAPTKCNH3
SCHEMBL6571383 0.89 PTGER4 (0.39) PTGER4ALDH1A1MAPTKCNH3CYP3A4
SCHEMBL6572283 0.86 PTGER4 (0.39) PTGER4EGFRALDH1A1MAPTKCNH3
SCHEMBL6572982 0.85 PTGER4 (0.40) PTGER4EGFRALDH1A1MAPTKCNH3
SCHEMBL6572457 0.83 ALOX5 (0.36) EGFRALDH1A1MAPTCYP3A4THRB
SCHEMBL6571994 0.83 PTGER4 (0.39) PTGER4EGFRALDH1A1MAPTKCNH3
SCHEMBL6570957 0.82 PTGER4 (0.40) PTGER4EGFRALDH1A1MAPTKCNH3
SCHEMBL6573234 0.82 PIK3CA (0.42) PTGER4EGFRALOX15NCF1
SCHEMBL6574643 0.81 PTGER4 (0.40) PTGER4ALDH1A1MAPTKCNH3CYP3A4
SCHEMBL6571382 0.81 PTGER4 (0.38) PTGER4ALDH1A1MAPTKCNH3CYP3A4

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