SCHEMBL6573501

SCHEMBL6573501

COCCN(CCOC)c1ccc(N)c(-c2cc(N)cc(N)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.35
CDC7 O00311 1/20 0.30
ROCK2 O75116 1/20 0.30
MAP4K4 O95819 1/20 0.30
PIM1 P11309 1/20 0.30
PRKACA P17612 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30
HIPK2 Q9H2X6 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL6571429 0.88 ALDH1A1 (0.36) S100B
SCHEMBL6571371 0.87 MAOA (0.34) S100BMAP4K4
SCHEMBL6572811 0.86 CRHR1 (0.37) S100BCDC7ROCK2MAP4K4PIM1
SCHEMBL6572336 0.86 S100B (0.33) S100B
SCHEMBL6570799 0.84 GRM2 (0.38) S100BMAP4K4
SCHEMBL6572008 0.84 MAPT (0.35) S100BCLK4
SCHEMBL6570859 0.84 S100B (0.37) S100B
SCHEMBL6572323 0.83 ALOX15 (0.40)
SCHEMBL6571984 0.83 S100B (0.36) S100B
SCHEMBL6574728 0.83 KMT2A (0.41) S100B

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