SCHEMBL5261646

SCHEMBL5261646

CCc1nccc(C(CCC(N)=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
SCN9A Q15858 8/20 0.43
LIPE Q05469 6/20 0.42
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40

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
SCHEMBL5261641 0.76 SCN9A (0.42) LMNASCN9ALIPEMAPK1
SCHEMBL3549808 0.72 PLAAT3 (0.47) LMNASCN9ALIPERAB9ADAGLA
SCHEMBL8410599 0.72 LMNA (0.48) LMNALIPERAB9ADAGLA
SCHEMBL3540389 0.71 PLAAT3 (0.52) LMNASCN9ALIPERAB9ADAGLA
SCHEMBL8410794 0.69 LMNA (0.47) LMNASCN9ALIPEMAPK1DAGLA
SCHEMBL15684926 0.69 LMNA (0.43) LMNASCN9ALIPEMAPK1
SCHEMBL15684946 0.69 MAPK1 (0.42) LMNASCN9ALIPERAB9AMAPK1
SCHEMBL15132941 0.68 LMNA (0.59) LMNASCN9ALIPERAB9AMAPK1
SCHEMBL8410697 0.68 LIPE (0.45) LMNASCN9ALIPERAB9AMAPK1
SCHEMBL9255996 0.67 MAPK1 (0.74) LMNASCN9ALIPERAB9AMAPK1

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