SCHEMBL6573371

SCHEMBL6573371

COCCN(CCOC)c1ccc(N)cc1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.41
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL6571986 0.89 MEN1 (0.41) CRHR1MEN1KMT2ACYP3A4DPP4
SCHEMBL6571546 0.88 CRHR1 (0.42) CRHR1MEN1KMT2ATP53
SCHEMBL6573595 0.87 CRHR1 (0.34) CRHR1CDC7ROCK2MAP4K4PIM1
SCHEMBL6572090 0.85 CRHR1 (0.34) CRHR1MEN1KMT2ACYP3A4TP53
SCHEMBL6573382 0.84 CYP3A4 (0.39) CRHR1CYP3A4
SCHEMBL6571883 0.83 GAA (0.33) CRHR1TP53
SCHEMBL6572992 0.83 FYN (0.39) CRHR1MEN1KMT2A
SCHEMBL6572255 0.82 CRHR1 (0.38) CRHR1MAP4K4CYP3A4
SCHEMBL6571013 0.82 CRHR1 (0.38) CRHR1MEN1KMT2ATP53
SCHEMBL6572290 0.81 TP53 (0.35) MEN1KMT2ACYP3A4TP53

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