SCHEMBL6571382

SCHEMBL6571382

COCCNc1ccc(N)c(-c2ccc(N)cc2N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.38
KCNH3 Q9ULD8 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
RPS6KA2 Q15349 1/20 0.35
NCF1 P14598 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 2/20 0.33
CASP7 P55210 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APEX1 P27695 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
ITK Q08881 1/20 0.33

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
SCHEMBL6574643 0.93 PTGER4 (0.40) PTGER4KCNH3ALDH1A1MAPTRPS6KA2
SCHEMBL6571383 0.89 PTGER4 (0.39) PTGER4KCNH3ALDH1A1MAPTRPS6KA2
SCHEMBL6573372 0.85 MALT1 (0.42) PTGER4KCNH3ALDH1A1MAPTNCF1
SCHEMBL6571994 0.85 PTGER4 (0.39) PTGER4KCNH3ALDH1A1MAPTRPS6KA2
SCHEMBL6570857 0.84 PTGER4 (0.39) PTGER4KCNH3ALDH1A1MAPTNCF1
SCHEMBL6573643 0.81 PTGER4 (0.42) PTGER4KCNH3ALDH1A1MAPTNCF1
SCHEMBL6573249 0.81 PTGER4 (0.39) PTGER4KCNH3ALDH1A1MAPTNCF1
SCHEMBL6572347 0.81 FCGR3B (0.36) ALDH1A1CYP2C19TSHRMEN1POLB
SCHEMBL6570977 0.81 PTGER4 (0.39) PTGER4KCNH3ALDH1A1MAPTNCF1
SCHEMBL6572109 0.81 PTGER4 (0.36) PTGER4KCNH3ALDH1A1MAPTNCF1

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