SCHEMBL6572445

SCHEMBL6572445

COCCNc1ccc(N)cc1-c1ccc(N)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.49
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
NCF1 P14598 2/20 0.42
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
HCAR3 P49019 1/20 0.36
USP2 O75604 2/20 0.35
CASP7 P55210 2/20 0.35
CYP1A2 P05177 1/20 0.35
APEX1 P27695 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34

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 0.89 PTGER4 (0.50) PTGER4ALDH1A1MAPTNCF1LMNA
SCHEMBL6572530 0.88 PTGER4 (0.47) PTGER4ALDH1A1MAPTNCF1LMNA
SCHEMBL6572132 0.87 PTGER4 (0.48) PTGER4ALDH1A1MAPTNCF1LMNA
SCHEMBL6572814 0.84 PTGER4 (0.48) PTGER4ALDH1A1MAPTNCF1LMNA
SCHEMBL6572005 0.83 PTGER4 (0.50) PTGER4ALDH1A1MAPTNCF1LMNA
SCHEMBL6572456 0.83 PTGER4 (0.50) PTGER4ALDH1A1MAPTNCF1LMNA
SCHEMBL6574138 0.83 PTGER4 (0.45) PTGER4ALDH1A1MAPTNCF1LMNA
SCHEMBL6570803 0.82 PTGER4 (0.41) PTGER4ALDH1A1MAPTNCF1LMNA
SCHEMBL6573219 0.82 PTGER4 (0.47) PTGER4ALDH1A1MAPTNCF1LMNA
SCHEMBL6571332 0.81 CYP1A2 (0.49) PTGER4ALDH1A1MAPTNCF1LMNA

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