SCHEMBL31533081

SCHEMBL31533081

Cn1cc(C(F)(F)F)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.46
▸ MAOA P21397 7/20 0.46
▸ MMP13 P45452 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ AR P10275 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALOX5AP P20292 1/20 0.39

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
SCHEMBL31533190 0.86 MMP13 (0.40) MAOBMAOAMMP13CYP3A4AR
SCHEMBL19319825 0.79 MAOB (0.46) MAOBMAOACYP3A4ARSMN1; SMN2
SCHEMBL31533109 0.77 MAOB (0.46) MAOBMAOAARSMN1; SMN2NPSR1
SCHEMBL19325027 0.77 MAOB (0.46) MAOBMAOAARSMN1; SMN2NPSR1
SCHEMBL19319846 0.77 KDM4E (0.53) MAOBMAOAKDM4EALDH1A1HSD17B10
SCHEMBL31533117 0.76 MAOB (0.45) MAOBMAOAARSMN1; SMN2NPSR1
SCHEMBL31533098 0.76 NPSR1 (0.52) MAOBMAOAKDM4EARSMN1; SMN2
SCHEMBL19319735 0.76 MAOB (0.47) MAOBMAOAKDM4EALDH1A1AR
SCHEMBL31533094 0.76 MAOB (0.44) MAOBMAOAARSMN1; SMN2NPSR1
SCHEMBL19319839 0.74 LMNA (0.43) MAOBMAOAALDH1A1ARSMN1; 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
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
Send feedback