SCHEMBL31443576

SCHEMBL31443576

C[C@H](/C=C/S(C)(=O)=O)NC(=O)c1ccc(N2CCCC[C@@H]2c2ccccc2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP8 Q14790 1/20 0.37
CASP10 Q92851 1/20 0.37
CCR1 P32246 7/20 0.36
PDE5A O76074 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
FFAR2 O15552 3/20 0.35
KCNH2 Q12809 1/20 0.35
CNR2 P34972 2/20 0.34
WDR91 A4D1P6 1/20 0.34
CHRM2 P08172 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL31443490 1.00 CASP1 (0.37) CASP1CASP4CASP5CASP7CASP9
SCHEMBL31443453 0.99 CASP1 (0.37) CASP1CASP4CASP5CASP7CASP9
SCHEMBL31443562 0.99 CASP1 (0.37) CASP1CASP4CASP5CASP7CASP9
SCHEMBL31443633 0.97 CASP1 (0.39) CASP1CASP4CASP5CASP7CASP9
SCHEMBL31443624 0.97 CASP1 (0.39) CASP1CASP4CASP5CASP7CASP9
SCHEMBL31443656 0.90 CNR2 (0.36) CASP1CASP4CASP5CASP7CASP9
SCHEMBL31443573 0.89 KMT2A (0.38) CCR1PDE5ASMYD3CNR2ALDH1A1
SCHEMBL31443486 0.87 USP30 (0.35) CASP1CASP4CASP5CASP7CASP9
SCHEMBL31443852 0.87 USP30 (0.35) CASP1CASP4CASP5CASP7CASP9
SCHEMBL31443863 0.87 SCN9A (0.35) CASP1CASP4CASP5CASP7CASP9

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-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO claimed
WO-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed