SCHEMBL21632491

SCHEMBL21632491

CNS(=O)(=O)c1ccc(-c2nn(COCC[Si](C)(C)C)c3nccc(Cl)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 12/20 0.37
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
MAPT P10636 1/20 0.32
DRD1 P21728 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL21632518 0.77 MERTK (0.32) MERTK
SCHEMBL22013966 0.76 MAPT (0.35) MAPTNPC1PTGDR2
SCHEMBL30908099 0.76 MAPT (0.35) MAPTNPC1PTGDR2
SCHEMBL26720538 0.76 KMT2A (0.34) MAPTNPC1
SCHEMBL21632555 0.75 GPR119 (0.38) MERTK
SCHEMBL17837901 0.74 DGAT1 (0.32) MAPT
SCHEMBL29514120 0.74 DGAT1 (0.32) MAPT
SCHEMBL25226076 0.72 NTRK1 (0.33)
SCHEMBL17844432 0.70 TRPV1 (0.33) SMN1; SMN2
SCHEMBL17837491 0.68 GRM1 (0.41)

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
WO-2020023393-A1 KINASE ANTAGONISTS AND METHODS FOR MAKING AND USING THEM BIOBLOCKS, INC. (US) 2020-01-30 WO disclosed
WO-2020023393-A1 KINASE ANTAGONISTS AND METHODS FOR MAKING AND USING THEM BIOBLOCKS, INC. (US) 2020-01-30 WO disclosed