SCHEMBL31443523

SCHEMBL31443523

C[C@H](/C=C/S(C)(=O)=O)NC(=O)c1ccc(N2CCCCC2c2ccccc2Cl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.39
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
AVPR2 P30518 2/20 0.34
AVPR1A P37288 1/20 0.34
F10 P00742 2/20 0.33
RORC P51449 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP1 P29466 1/20 0.32
CASP4 P49662 1/20 0.32
CASP5 P51878 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP8 Q14790 1/20 0.32
CASP10 Q92851 1/20 0.32
MAPK1 P28482 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
SCHEMBL31443472 1.00 SCN9A (0.39) SCN9AHSP90AA1HSP90AB1NR1H2NR1H3
SCHEMBL31443697 0.98 SCN9A (0.41) SCN9AHSP90AA1HSP90AB1NR1H2NR1H3
SCHEMBL31443452 0.93 SCN9A (0.36) SCN9A
SCHEMBL31443635 0.93 SCN9A (0.36) SCN9A
SCHEMBL31443639 0.93 SCN9A (0.36) SCN9A
SCHEMBL31443603 0.91 SCN9A (0.38) SCN9AHSP90AA1HSP90AB1RORC
SCHEMBL31443581 0.91 SCN9A (0.38) SCN9AHSP90AA1HSP90AB1RORC
SCHEMBL31443644 0.90 SCN9A (0.38) SCN9ACYP1A2CYP2C19
SCHEMBL31443515 0.90 SCN9A (0.38) SCN9ACYP1A2CYP2C19
SCHEMBL31443660 0.89 SCN9A (0.34) SCN9AMAPK1

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