SCHEMBL6571107

SCHEMBL6571107

COCCN(CCOC)c1ccc(N)cc1-c1cccc(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
ATR Q13535 1/20 0.40
PTPN11 Q06124 1/20 0.40
KMO O15229 1/20 0.38
PLAU P00749 1/20 0.38
PTGER1 P34995 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
FOLH1 Q04609 2/20 0.38
PTGER4 P35408 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
PLA2G2A P14555 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 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
SCHEMBL6572689 0.87 RARB (0.41) KDM4CPTGER4
SCHEMBL6573165 0.85 KMO (0.42) KDM4CKMOPTGER1FNTAFNTB
SCHEMBL6572255 0.85 CRHR1 (0.38)
SCHEMBL6571031 0.83 PIK3CG (0.38)
SCHEMBL6573087 0.82 CRHR1 (0.40)
SCHEMBL6571409 0.81 ALDH1A1 (0.48) ATR
SCHEMBL6572624 0.81 MAP4K4 (0.44)
SCHEMBL6571546 0.81 CRHR1 (0.42)
SCHEMBL6571312 0.81 ALDH1A1 (0.44) LMNAGAA
SCHEMBL6572721 0.81 KDM4E (0.35) LMNA

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 2 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
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