SCHEMBL4368153

SCHEMBL4368153

NCc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.47
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
MPL P40238 2/20 0.39
RXRA P19793 6/20 0.38
GRIN1 Q05586 6/20 0.38
GRIN2B Q13224 6/20 0.38
KDR P35968 3/20 0.37
PLA2G7 Q13093 1/20 0.36
AR P10275 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SCN9A Q15858 1/20 0.36
BRAF P15056 1/20 0.35

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
SCHEMBL875406 0.86 CDK8 (0.47) CDK8HTR2ASLC6A4KCNH2MPL
SCHEMBL876564 0.84 CDK8 (0.46) CDK8HTR2ASLC6A4KCNH2MPL
SCHEMBL4375188 0.80 SOS1 (0.48) CDK8HTR2ASLC6A4KCNH2KDR
SCHEMBL16853366 0.78 ST14 (0.40)
SCHEMBL4369986 0.78 ST14 (0.55) CDK8HTR2ASLC6A4KCNH2AR
SCHEMBL3726016 0.77 L3MBTL1 (0.40) HTR2AAR
SCHEMBL15096500 0.76 CDK8 (0.46) CDK8HTR2ASLC6A4KCNH2RXRA
SCHEMBL4375086 0.76 MEN1 (0.45) CDK8KCNH2SCN9A
SCHEMBL875837 0.75 CDK8 (0.47) CDK8HTR2ASLC6A4KCNH2MPL
SCHEMBL876035 0.75 CDK8 (0.45) CDK8HTR2ASLC6A4KCNH2MPL

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-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed