SCHEMBL6572992

SCHEMBL6572992

COCCN(CCOC)c1ccc(N)cc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.39
CRHR1 P34998 5/20 0.38
EGFR P00533 1/20 0.36
PTGS2 P35354 5/20 0.35
PTGS1 P23219 3/20 0.35
EPHB4 P54760 2/20 0.34
CHRM3 P20309 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6573382 0.89 CYP3A4 (0.39) CRHR1SLC6A4
SCHEMBL6571986 0.86 MEN1 (0.41) CRHR1MEN1KMT2A
SCHEMBL6573155 0.84 PTGS2 (0.40) FYNEGFRPTGS2PTGS1EPHB4
SCHEMBL6573371 0.83 CRHR1 (0.41) CRHR1MEN1KMT2A
SCHEMBL6571975 0.83 GRM2 (0.38) FYNCRHR1
SCHEMBL6572169 0.83 DYRK1A (0.41) FYNCRHR1MEN1KMT2A
SCHEMBL6572090 0.83 CRHR1 (0.34) CRHR1MEN1KMT2A
SCHEMBL6571546 0.82 CRHR1 (0.42) FYNCRHR1MEN1KMT2A
SCHEMBL6572624 0.80 MAP4K4 (0.44) FYNCRHR1CHRM3KMT2A
SCHEMBL6572255 0.79 CRHR1 (0.38) FYNCRHR1CHRM3

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