SCHEMBL31409586

SCHEMBL31409586

Cc1cc(Oc2ccc(C(F)(F)F)cc2)cc(-c2cn(CCCCO[Si](C)(C)C(C)(C)C)c3ccnc(Cl)c23)c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.31

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
SCHEMBL31409562 0.87 BRD4 (0.35) NOS1
SCHEMBL31409572 0.87 SCN9A (0.33) NOS1
SCHEMBL31409614 0.86 NOS1 (0.31) NOS1
SCHEMBL31409612 0.86 NOS1 (0.31) NOS1
SCHEMBL31409647 0.82 DGAT1 (0.37)
SCHEMBL31409705 0.69 DYRK1A (0.36)
SCHEMBL31617596 0.65 IDH1 (0.34)
SCHEMBL31617590 0.63 NPBWR1 (0.33)
SCHEMBL31617466 0.62 SCN8A (0.37)
SCHEMBL23791762 0.62 DUT (0.51)

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-2025026997-A1 SUBSTITUED BICYCLIC HETEROCYCLIC YAP-TEAD AND/OR TAZ-TEAD INHIBITORS MERCK PATENT GMBH (DE) 2025-02-06 WO disclosed