SCHEMBL31533094

SCHEMBL31533094

Oc1cc(OCc2ccc(Cl)cc2)ccc1-c1nc(C(F)(F)F)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.44
▸ MAOA P21397 7/20 0.44
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALOX5AP P20292 1/20 0.42
▸ AR P10275 1/20 0.41
▸ APP P05067 1/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ DHFR P00374 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 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
SCHEMBL31533128 0.89 DHFR (0.41) MAOBMAOAARAPPDHFR
SCHEMBL31533141 0.89 AR (0.40) MAOBMAOASMN1; SMN2ARAPP
SCHEMBL31533163 0.87 MAPT (0.41) MAOBMAOALMNASMN1; SMN2NPSR1
SCHEMBL31533061 0.84 MAPT (0.38) MAOBMAOASMN1; SMN2NPSR1AR
SCHEMBL31533098 0.80 NPSR1 (0.52) MAOBMAOALMNASMN1; SMN2NPSR1
SCHEMBL31533117 0.78 MAOB (0.45) MAOBMAOALMNASMN1; SMN2NPSR1
SCHEMBL31533162 0.77 MAOB (0.51) MAOBMAOALMNASMN1; SMN2NPSR1
SCHEMBL31533109 0.77 MAOB (0.46) MAOBMAOALMNASMN1; SMN2NPSR1
SCHEMBL31533071 0.77 MAOB (0.46) MAOBMAOALMNASMN1; SMN2NPSR1
SCHEMBL19325027 0.77 MAOB (0.46) MAOBMAOALMNASMN1; SMN2NPSR1

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
CN-119569635-A Biaryl ring inhibitors targeting c-Myc proteins 上海深势唯思科技有限责任公司 2025-03-07 — — CN disclosed
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