SCHEMBL6573219

SCHEMBL6573219

COCCNc1ccc(N)cc1-c1cc(O)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.47
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
NCF1 P14598 2/20 0.38
HCAR3 P49019 1/20 0.36
GAA P10253 3/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
KDM4E B2RXH2 2/20 0.31
KCNN4 O15554 1/20 0.31
TNIK Q9UKE5 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NQO2 P16083 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6574666 0.92 PTGER4 (0.50) PTGER4MAPTALDH1A1NCF1HCAR3
SCHEMBL6574138 0.88 PTGER4 (0.45) PTGER4MAPTALDH1A1NCF1HCAR3
SCHEMBL6573105 0.84 PTGER4 (0.49) PTGER4MAPTALDH1A1NCF1HCAR3
SCHEMBL6573377 0.83 ALDH1A1 (0.38) ALDH1A1GAALMNAMAPK1RAB9A
SCHEMBL6572132 0.83 PTGER4 (0.48) PTGER4MAPTALDH1A1NCF1HCAR3
SCHEMBL6572814 0.83 PTGER4 (0.48) PTGER4MAPTALDH1A1NCF1HCAR3
SCHEMBL6572530 0.82 PTGER4 (0.47) PTGER4MAPTALDH1A1NCF1HCAR3
SCHEMBL6572445 0.82 PTGER4 (0.49) PTGER4MAPTALDH1A1NCF1HCAR3
SCHEMBL6571173 0.81 PTGER4 (0.49) PTGER4MAPTALDH1A1NCF1HCAR3
SCHEMBL6573643 0.81 PTGER4 (0.42) PTGER4MAPTALDH1A1NCF1HPGD

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