SCHEMBL31444591

SCHEMBL31444591

C[C@H](/C=C/S(C)(=O)=O)NC(=O)c1ccc(N2CCOCCC2c2ccccc2Cl)cc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H4 Q96RI1 2/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MAPT P10636 2/20 0.34
SCN9A Q15858 2/20 0.34
MAPK1 P28482 2/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KCNK3 O14649 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL31443473 1.00 MEN1 (0.35) MEN1KMT2ANR1H4MMP2MMP13
SCHEMBL31443518 0.93 MAPK1 (0.36) MEN1KMT2ANR1H4MMP2MMP13
SCHEMBL31443496 0.93 MAPK1 (0.36) MEN1KMT2ANR1H4MMP2MMP13
SCHEMBL31443697 0.91 SCN9A (0.41) SCN9ANR1H2NR1H3ALDH1A1BCL2
SCHEMBL31443472 0.90 SCN9A (0.39) SCN9AMAPK1NR1H2NR1H3
SCHEMBL31443523 0.90 SCN9A (0.39) SCN9AMAPK1NR1H2NR1H3
SCHEMBL31443512 0.89 SCN9A (0.34) MEN1KMT2ANR1H4MMP2MMP13
SCHEMBL31443607 0.89 SCN9A (0.34) MEN1KMT2ANR1H4MMP2MMP13
SCHEMBL31443784 0.86 MAPK1 (0.38) MAPK1ALDH1A1KCNK3
SCHEMBL31443553 0.85 NR1H2 (0.32) NR1H4SCN9AMAPK1NR1H2NR1H3

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 1 patent. 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 disclosed