SCHEMBL19633800

SCHEMBL19633800

O=[N+]([O-])c1ccc(COc2ccc3c(Cl)ccnc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.51
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
KDR P35968 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL19633702 0.81 TLR8 (0.48) MAOBRAB9A
SCHEMBL3898712 0.80 CYP3A4 (0.58) MAOBRAB9ALMNAMAOA
SCHEMBL29878333 0.80 CYP3A4 (0.58) MAOBRAB9ALMNAMAOA
SCHEMBL1885566 0.80 HSD17B10 (0.50) MAPTLMNA
SCHEMBL12003929 0.79 CTSV (0.50) MAOBMAPTNPSR1RAB9ACA12
SCHEMBL28621039 0.75 CA12 (0.76) MAOBMAPTNPSR1RAB9ACA12
SCHEMBL11658094 0.74 CA12 (0.66) MAOBMAPTNPSR1RAB9ACA12
SCHEMBL22718882 0.74 CA12 (0.66) MAOBMAPTNPSR1RAB9ACA12
SCHEMBL19633701 0.74 PDGFRB (0.47) MAPTNPSR1RAB9AHPGDLMNA
SCHEMBL19633706 0.73 PDGFRA (0.57) MAOBMAPTKDR

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-2017198196-A1 QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY 王子厚 2017-11-23 WO disclosed