SCHEMBL21486502

SCHEMBL21486502

CC(=O)c1cc(Cl)cc(C2(C#N)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.38
▸ WDR5 P61964 4/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TPMT P51580 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32

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
SCHEMBL22926217 0.86 TPMT (0.50) OPRM1WDR5MEN1NPC1RAB9A
SCHEMBL29639686 0.86 TPMT (0.50) OPRM1WDR5MEN1NPC1RAB9A
SCHEMBL23976730 0.84 PARP1 (0.39) OPRM1WDR5MEN1NPC1RAB9A
SCHEMBL21462335 0.84 RAPGEF3 (0.41) OPRM1WDR5MEN1NPC1RAB9A
SCHEMBL29672156 0.84 RAPGEF3 (0.41) OPRM1WDR5MEN1NPC1RAB9A
SCHEMBL25801653 0.79 OPRM1 (0.44) OPRM1
SCHEMBL21484194 0.76 GRN (0.37) WDR5MEN1NPC1RAB9AKMT2A
SCHEMBL23375700 0.76 GRN (0.37) WDR5MEN1NPC1RAB9AKMT2A
SCHEMBL23977427 0.76 RAB9A (0.46) WDR5MEN1NPC1RAB9AKMT2A
SCHEMBL23223609 0.75 OPRM1 (0.42) OPRM1KMT2A

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
EP-3774778-B1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2023-01-18 — — EP disclosed
WO-2019197468-A1 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 — — WO disclosed
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