SCHEMBL5261641

SCHEMBL5261641

CCc1nccc(-c2cc(Oc3ccc(C(F)(F)F)cn3)ccc2CCCC(N)=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
LIPE Q05469 4/20 0.40
SCN10A Q9Y5Y9 2/20 0.39

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
SCHEMBL5261646 0.76 LMNA (0.43) SCN9AMAPK1LMNALIPE
SCHEMBL3540389 0.75 PLAAT3 (0.52) SCN9ALMNAPLAAT3PLAAT5PLAAT2
SCHEMBL19386711 0.73 LMNA (0.37) SCN9AMAPK1LMNAPLAAT3PLAAT5
SCHEMBL3549808 0.72 PLAAT3 (0.47) SCN9ALMNAPLAAT3PLAAT5PLAAT2
SCHEMBL8410599 0.70 LMNA (0.48) LMNAPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8410794 0.67 LMNA (0.47) SCN9AMAPK1LMNAPLAAT3PLAAT5
SCHEMBL5121328 0.67 MAPK1 (0.52) SCN9AMAPK1LMNALIPESCN10A
SCHEMBL5119799 0.67 MAPK1 (0.58) SCN9AMAPK1LMNALIPESCN10A
SCHEMBL5121559 0.67 MAPK1 (0.52) SCN9AMAPK1LMNAPLAAT3PLAAT5
SCHEMBL5108842 0.67 MAPK1 (0.49) SCN9AMAPK1LMNAPLAAT3PLAAT5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP claimed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO claimed