SCHEMBL1462151

SCHEMBL1462151

NC(=O)c1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F.Nc1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.47
BRAF P15056 1/20 0.46
KMT2A Q03164 1/20 0.44
SLC40A1 Q9NP59 1/20 0.43
METAP2 P50579 3/20 0.43
METAP1 P53582 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
EIF2AK4 Q9P2K8 1/20 0.42
ERBB2 P04626 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IKBKB O14920 1/20 0.41
CYP2C19 P33261 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL1492020 0.94 FABP4 (0.48) FABP4BRAFKMT2ASLC40A1METAP2
SCHEMBL1492012 0.88 SLC40A1 (0.52) KMT2ASLC40A1METAP2ALDH1A1GAA
SCHEMBL1462153 0.88 SLC40A1 (0.52) KMT2ASLC40A1METAP2ALDH1A1GAA
SCHEMBL1462085 0.83 FABP4 (0.59) FABP4BRAFKMT2ASLC40A1METAP2
SCHEMBL14578983 0.81 BRAF (0.49) FABP4BRAFCYP2C19
SCHEMBL3020511 0.81 CYP3A4 (0.55) BRAF
SCHEMBL3026664 0.80 HSD17B2 (0.50) KMT2AALDH1A1CYP2C19
SCHEMBL3017378 0.80 CYP2C19 (0.60) FABP4KMT2AMETAP2ALDH1A1CYP2C19
SCHEMBL3022486 0.79 FABP4 (0.50) FABP4BRAFALDH1A1
SCHEMBL3029913 0.79 CYP3A4 (0.56) BRAFSLC40A1

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-2493865-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-09-05 EP disclosed
WO-2011025938-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed