SCHEMBL8192595

SCHEMBL8192595

Cc1nc(C)c(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.43
KIF11 P52732 5/20 0.42
TRPV1 Q8NER1 4/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
NR1H4 Q96RI1 1/20 0.40
NOTUM Q6P988 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN5A Q14524 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL22925906 0.84 KIF11 (0.46) LMNATHRBKIF11TRPV1TRPM8
SCHEMBL472556 0.83 MAPT (0.41) LMNATHRBMAPTKIF11TRPV1
SCHEMBL8192268 0.80 BRD4 (0.50) LMNAMAPTNR1H4NOTUM
SCHEMBL5545503 0.79 PTGS2 (0.54) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL29154647 0.79 MAPK13 (0.68) MAPTKIF11MAPK13MAPK12MAPK11
SCHEMBL8192267 0.79 ENPP3 (0.42) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL4741182 0.78 IKBKB (0.45) MAPTTRPV1PTPN1
SCHEMBL5546174 0.76 CCR9 (0.44) LMNAMAPTNR1H4MAPK13MAPK12
SCHEMBL9434736 0.76 NPC1 (0.39) LMNAMAPK13MAPK12MAPK11MAPK14
SCHEMBL21051602 0.76 NPC1 (0.40) MAPTNR1H4MAPK13MAPK12MAPK11

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
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed