SCHEMBL6572530

SCHEMBL6572530

COCCNc1ccc(N)cc1-c1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.47
NCF1 P14598 2/20 0.46
ALDH1A1 P00352 5/20 0.42
MAPT P10636 1/20 0.42
MALT1 Q9UDY8 1/20 0.40
KCNN4 O15554 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 4/20 0.39
USP2 O75604 1/20 0.39
APEX1 P27695 1/20 0.39
CASP7 P55210 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 2/20 0.36
HIF1A Q16665 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 2/20 0.36

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 0.90 PTGER4 (0.50) PTGER4NCF1ALDH1A1MAPTMALT1
SCHEMBL6572445 0.88 PTGER4 (0.49) PTGER4NCF1ALDH1A1MAPTMALT1
SCHEMBL6571332 0.87 CYP1A2 (0.49) PTGER4NCF1ALDH1A1MAPTMALT1
SCHEMBL6572531 0.86 PTGER4 (0.45) PTGER4NCF1ALDH1A1MAPTMALT1
SCHEMBL6572270 0.86 ALDH1A1 (0.50) PTGER4NCF1ALDH1A1MAPTMALT1
SCHEMBL6572960 0.84 PTGER4 (0.51) PTGER4NCF1ALDH1A1MAPTMALT1
Hydrochloric Acid SCHEMBL6572054 0.83 PTGER4 (0.50) PTGER4NCF1ALDH1A1MAPTMALT1
SCHEMBL6573219 0.82 PTGER4 (0.47) PTGER4NCF1ALDH1A1MAPTKCNN4
SCHEMBL6570689 0.81 PTGER4 (0.48) PTGER4NCF1ALDH1A1MAPTLMNA
SCHEMBL6572132 0.81 PTGER4 (0.48) PTGER4NCF1ALDH1A1MAPTCYP1A2

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