SCHEMBL31533128

SCHEMBL31533128

Nc1cc(OCc2ccc(Cl)cc2)ccc1-c1nc(C(F)(F)F)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.41
▸ AR P10275 1/20 0.40
▸ TEC P42680 1/20 0.40
▸ MAOB P27338 13/20 0.39
▸ MAOA P21397 6/20 0.39
▸ MPO P05164 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ APP P05067 1/20 0.36
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL31533094 0.89 MAOB (0.44) DHFRARMAOBMAOAAPP
SCHEMBL31533141 0.87 AR (0.40) DHFRARMAOBMAOAAPP
SCHEMBL31533163 0.85 MAPT (0.41) ARMAOBMAOA
SCHEMBL31533061 0.83 MAPT (0.38) ARMAOBMAOAAPPCNR1
SCHEMBL19319903 0.75 AR (0.41) DHFRARMAOBMAOA
SCHEMBL19319846 0.72 KDM4E (0.53) DHFRARTECMAOBMAOA
SCHEMBL31533098 0.71 NPSR1 (0.52) DHFRARMAOBMAOA
SCHEMBL19319901 0.71 LMNA (0.39) DHFRARTECMAOBMAOA
SCHEMBL9735463 0.70 GUSB (0.40) —
SCHEMBL31533117 0.70 MAOB (0.45) DHFRARMAOBMAOAAPP

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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