SCHEMBL6572966

SCHEMBL6572966

COCCN(CCOC)c1ccc(N)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
KIF11 P52732 2/20 0.37
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MCHR1 Q99705 1/20 0.34
HDAC2 Q92769 1/20 0.34
RAB9A P51151 2/20 0.33
BACE1 P56817 1/20 0.33
SCN9A Q15858 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CFTR P13569 1/20 0.33
RORC P51449 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 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
SCHEMBL6571429 0.86 ALDH1A1 (0.36) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL6574055 0.86 PRMT6 (0.41) RORCMAOBAKR1C3AKR1C2
SCHEMBL6570799 0.85 GRM2 (0.38) F2PRSS1PRSS2PRSS3HDAC2
SCHEMBL6572008 0.85 MAPT (0.35) F2PRSS1PRSS2PRSS3RAB9A
SCHEMBL6570859 0.85 S100B (0.37) F2PRSS1PRSS2PRSS3RAB9A
SCHEMBL6571861 0.84 HDAC4 (0.34) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6574728 0.84 KMT2A (0.41) F2PRSS1PRSS2PRSS3RAB9A
SCHEMBL6572323 0.84 ALOX15 (0.40) HDAC2KMT2A
SCHEMBL6571984 0.84 S100B (0.36) F2PRSS1PRSS2PRSS3RAB9A
SCHEMBL6571056 0.84 MGAM (0.36) F2PRSS1PRSS2PRSS3KMT2A

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