SCHEMBL6571994

SCHEMBL6571994

COCCNc1ccc(N)c(-c2cc(N)ccc2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KCNH3 Q9ULD8 2/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.33
RPS6KA2 Q15349 1/20 0.33
EGFR P00533 1/20 0.33
NCF1 P14598 1/20 0.33
CA2 P00918 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31
GFER P55789 1/20 0.31

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 0.92 PTGER4 (0.40) PTGER4ALDH1A1KCNH3MAPTGAA
SCHEMBL6571383 0.91 PTGER4 (0.39) PTGER4ALDH1A1KCNH3ALOX5MAPT
SCHEMBL6572283 0.85 PTGER4 (0.39) PTGER4ALDH1A1KCNH3MAPTEGFR
SCHEMBL6571382 0.85 PTGER4 (0.38) PTGER4ALDH1A1KCNH3MAPTGAA
SCHEMBL6573643 0.83 PTGER4 (0.42) PTGER4ALDH1A1KCNH3MAPTEGFR
SCHEMBL6572293 0.83 PDE10A (0.36) PDE10AALDH1A1MAPTGAACA2
SCHEMBL6570977 0.83 PTGER4 (0.39) PTGER4ALDH1A1KCNH3MAPTGAA
SCHEMBL6572814 0.81 PTGER4 (0.48) PTGER4PDE10AALDH1A1ALOX5MAPT
SCHEMBL6570857 0.81 PTGER4 (0.39) PTGER4ALDH1A1KCNH3MAPTNCF1
SCHEMBL6573372 0.79 MALT1 (0.42) PTGER4ALDH1A1KCNH3MAPTNCF1

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