SCHEMBL6571173

SCHEMBL6571173

COCCNc1ccc(N)cc1-c1cc(O)cc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.49
NCF1 P14598 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HCAR3 P49019 1/20 0.37
LMNA P02545 1/20 0.35
RAB9A P51151 2/20 0.34
GAA P10253 3/20 0.33
MAPK1 P28482 2/20 0.33
KCNN4 O15554 1/20 0.32
NQO2 P16083 2/20 0.32
CYP19A1 P11511 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CASP3 P42574 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6572304 0.96 PTGER4 (0.48) PTGER4NCF1MAPTALDH1A1HCAR3
SCHEMBL6573105 0.89 PTGER4 (0.49) PTGER4NCF1MAPTALDH1A1HCAR3
SCHEMBL6572456 0.88 PTGER4 (0.50) PTGER4NCF1MAPTALDH1A1HCAR3
SCHEMBL6572075 0.88 PTGER4 (0.46) PTGER4NCF1MAPTALDH1A1HCAR3
SCHEMBL6572005 0.85 PTGER4 (0.50) PTGER4NCF1MAPTALDH1A1HCAR3
SCHEMBL6570689 0.83 PTGER4 (0.48) PTGER4NCF1MAPTALDH1A1LMNA
SCHEMBL6572960 0.83 PTGER4 (0.51) PTGER4NCF1MAPTALDH1A1HCAR3
SCHEMBL6572814 0.83 PTGER4 (0.48) PTGER4NCF1MAPTALDH1A1HCAR3
SCHEMBL6572132 0.83 PTGER4 (0.48) PTGER4NCF1MAPTALDH1A1HCAR3
SCHEMBL6573241 0.82 ABCB1 (0.36) ALDH1A1LMNARAB9AGAAMAPK1

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 3 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