SCHEMBL31443526

SCHEMBL31443526

C[C@H](/C=C/S(C)(=O)=O)NC(=O)c1ccc(N2CCC(=O)CC2c2ccccc2Cl)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.34
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 2/20 0.32
RORC P51449 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
F10 P00742 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPK1 P28482 1/20 0.30
NR1H4 Q96RI1 2/20 0.30

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
SCHEMBL31443697 0.90 SCN9A (0.41) SCN9ANR1H2NR1H3RORCF10
SCHEMBL31443523 0.89 SCN9A (0.39) SCN9ANR1H2NR1H3RORCCYP1A2
SCHEMBL31443472 0.89 SCN9A (0.39) SCN9ANR1H2NR1H3RORCCYP1A2
SCHEMBL31443518 0.86 MAPK1 (0.36) SCN9ANR1H2NR1H3MAPK1NR1H4
SCHEMBL31443553 0.86 NR1H2 (0.32) SCN9ANR1H2NR1H3RORCF10
SCHEMBL31443496 0.86 MAPK1 (0.36) SCN9ANR1H2NR1H3MAPK1NR1H4
SCHEMBL31443473 0.85 MEN1 (0.35) SCN9ANR1H2NR1H3MAPK1NR1H4
SCHEMBL31444591 0.85 MEN1 (0.35) SCN9ANR1H2NR1H3MAPK1NR1H4
SCHEMBL31443607 0.85 SCN9A (0.34) SCN9ANR1H2NR1H3MAPK1NR1H4
SCHEMBL31443447 0.85 NR1H2 (0.32) SCN9ANR1H2NR1H3RORC

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