SCHEMBL31443573

SCHEMBL31443573

C[C@H](/C=C/S(C)(=O)=O)NC(=O)c1ccc(N2CCCCC2c2ccccc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
PDE5A O76074 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
NTRK1 P04629 1/20 0.35
CCR1 P32246 1/20 0.35
TNKS O95271 1/20 0.35
TSHR P16473 2/20 0.35
ROCK2 O75116 1/20 0.34
HIF1A Q16665 1/20 0.34
CNR2 P34972 2/20 0.34
RIPK1 Q13546 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL31444450 0.93 KMT2A (0.35) KMT2AALDH1A1LMNAHTTSMYD3
SCHEMBL31444597 0.93 KMT2A (0.35) KMT2AALDH1A1LMNAHTTSMYD3
SCHEMBL31443656 0.90 CNR2 (0.36) KMT2ALMNASMYD3CNR2
SCHEMBL31443739 0.90 CASP1 (0.37) KMT2AALDH1A1LMNAHTTSMYD3
SCHEMBL31443490 0.89 CASP1 (0.37) KMT2AALDH1A1PDE5ASMYD3CCR1
SCHEMBL31443576 0.89 CASP1 (0.37) KMT2AALDH1A1PDE5ASMYD3CCR1
SCHEMBL31443635 0.89 SCN9A (0.36) ALDH1A1NTRK1RIPK1GAASMN1; SMN2
SCHEMBL31443452 0.89 SCN9A (0.36) ALDH1A1NTRK1RIPK1GAASMN1; SMN2
SCHEMBL31443639 0.89 SCN9A (0.36) ALDH1A1NTRK1RIPK1GAASMN1; SMN2
SCHEMBL31443453 0.89 CASP1 (0.37) KMT2ALMNAPDE5ASMYD3CCR1

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