SCHEMBL21158627

SCHEMBL21158627

CCc1ccc(Oc2cccc(C(F)(F)F)c2)c(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.49
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PGGT1B P53609 1/20 0.45
POLB P06746 1/20 0.45
SCN9A Q15858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL875321 0.88 AR (0.57) ARKDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL883467 0.88 MAOB (0.46) ARCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL875066 0.88 AR (0.44) ARKDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL875988 0.88 SCN9A (0.44) ARKDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL883471 0.88 SCN9A (0.44) ARKDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL29769048 0.88 AR (0.57) ARKDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL875333 0.86 AR (0.45) ARKDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL875684 0.85 SCN9A (0.47) ARKDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL9109349 0.85 CYP1A2 (0.44) ARKDM4EHTTSMN1; SMN2CYP1A2
SCHEMBL883763 0.85 CYP1A2 (0.44) ARKDM4EHTTSMN1; SMN2CYP1A2

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-3172211-B1 TRICYCLIC IMIDAZO-PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY LP-PLA2 GLAXOSMITHKLINE IP DEV LTD (GB) 2019-07-03 EP disclosed