SCHEMBL6572725

SCHEMBL6572725

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A4 P31645 2/20 0.32
S100B P04271 1/20 0.32
QPCT Q16769 2/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
GCGR P47871 2/20 0.31
MAPK14 Q16539 2/20 0.31
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 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 0.86 ALDH1A1 (0.36) ALDH1A1ALOX15S100BF2PRSS1
SCHEMBL6570859 0.85 S100B (0.37) ALDH1A1LMNAALOX15S100BF2
SCHEMBL6572393 0.85 BACE1 (0.37) ALDH1A1LMNAS100BQPCTGCGR
SCHEMBL6570799 0.85 GRM2 (0.38) ALDH1A1S100BF2PRSS1PRSS2
SCHEMBL6572008 0.85 MAPT (0.35) ALDH1A1LMNAALOX15S100BF2
SCHEMBL6571984 0.84 S100B (0.36) ALDH1A1S100BF2PRSS1PRSS2
SCHEMBL6571056 0.84 MGAM (0.36) S100BF2PRSS1PRSS2PRSS3
SCHEMBL6572323 0.84 ALOX15 (0.40) ALDH1A1ALOX15CYP1A2
SCHEMBL6574728 0.84 KMT2A (0.41) LMNAS100BF2PRSS1PRSS2
SCHEMBL6572478 0.84 S100B (0.33) ALDH1A1S100BF2PRSS1PRSS2

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