SCHEMBL1397688

SCHEMBL1397688

CC(C)(C)c1csc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2c(F)c(Cl)cc3cc[nH]c23)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.34
CDK8 P49336 2/20 0.33
SLC2A1 P11166 1/20 0.33
MGLL Q99685 1/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
MCL1 Q07820 1/20 0.32
GPR52 Q9Y2T5 1/20 0.31
EIF4E P06730 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CETP P11597 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
SCHEMBL1397684 0.86 TRPM8 (0.37) TRPM8CDK8SLC2A1MGLLHDAC11
SCHEMBL1386968 0.86 MEN1 (0.37) TRPM8SLC2A1MGLLHDAC11HDAC8
SCHEMBL1397717 0.84 MCL1 (0.34) CDK8SLC2A1MGLLHDAC11HDAC8
SCHEMBL20768023 0.83 SLC2A1 (0.38) TRPM8CDK8SLC2A1MGLLHDAC8
SCHEMBL1397553 0.83 TRPM8 (0.35) TRPM8CDK8SLC2A1MGLLHDAC11
SCHEMBL1386856 0.83 PPARG (0.35) SLC2A1MGLLHDAC11HDAC8HDAC6
SCHEMBL1397700 0.78 MCL1 (0.31) MGLLMCL1
SCHEMBL4661382 0.76 GPR52 (0.37) GPR52MEN1KMT2A
SCHEMBL3195141 0.76 LMNA (0.39) CETP
SCHEMBL1386237 0.75 ESRRG (0.34) TRPM8HDAC11HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed