SCHEMBL6572478

SCHEMBL6572478

COCCN(CCOC)c1ccc(N)c(-c2ccc(I)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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 0.89 ALDH1A1 (0.36) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6572008 0.87 MAPT (0.35) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6570799 0.87 GRM2 (0.38) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6570859 0.87 S100B (0.37) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6571984 0.86 S100B (0.36) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6574728 0.86 KMT2A (0.41) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6572323 0.86 ALOX15 (0.40) ALDH1A1CYP3A4TDP1
SCHEMBL6571056 0.86 MGAM (0.36) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6571926 0.85 F2 (0.38) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6572725 0.84 ALDH1A1 (0.33) S100BF2PRSS1PRSS2PRSS3

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