SCHEMBL31444286

SCHEMBL31444286

COC(=O)c1cnc(-c2cccc(F)c2Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.46
AVPR1A P37288 3/20 0.46
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
IL2 P60568 1/20 0.38
CTSA P10619 1/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37

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
SCHEMBL31743315 0.77 OXTR (0.56) OXTRAVPR1AMAPK1MAPTPDCD1
SCHEMBL31156141 0.77 OXTR (0.56) OXTRAVPR1AMAPK1MAPTPDCD1
SCHEMBL15539723 0.75 GABRP (0.46) OXTRAVPR1AMAPK1
SCHEMBL931505 0.72 OXTR (0.59) OXTRAVPR1AMAPK1NPC1SMN1; SMN2
SCHEMBL15539482 0.72 SCN9A (0.46)
SCHEMBL21906524 0.71 RXRB (0.43) MAPK1NPC1SMN1; SMN2MAPT
SCHEMBL25213243 0.71 MEN1 (0.49) MAPK1SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL68869 0.71 MAPK1 (0.63) MAPK1MAPTALDH1A1
SCHEMBL31444382 0.71 PDCD1 (0.48) OXTRAVPR1AMAPK1NPC1CTSA
SCHEMBL15539481 0.69 P4HTM (0.46) NPC1SMN1; SMN2

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