SCHEMBL6964309

SCHEMBL6964309

Nc1cnc2cc(OCc3ccccc3C(F)(F)F)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.51
MAOA P21397 1/20 0.46
IDO1 P14902 2/20 0.44
LNPEP Q9UIQ6 1/20 0.43
TDP1 Q9NUW8 1/20 0.39
PLK1 P53350 1/20 0.39
MAP4K3 Q8IVH8 1/20 0.39
F2 P00734 1/20 0.39
CYP3A4 P08684 1/20 0.39
AR P10275 1/20 0.38
EGFR P00533 1/20 0.38
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 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
SCHEMBL6952896 0.81 ALDH1A1 (0.49) MAOBMAOAIDO1LNPEPTDP1
SCHEMBL6966030 0.78 CYP3A4 (0.62) MAOBMAOACYP3A4
SCHEMBL5089223 0.76 MAOB (0.61) MAOBMAOAIDO1LNPEPF2
SCHEMBL4639733 0.76 MAOB (0.61) MAOBMAOAIDO1LNPEPF2
SCHEMBL31172163 0.76 MAOB (0.61) MAOBMAOAIDO1LNPEPF2
SCHEMBL8824960 0.75 MAOB (0.40) MAOBMAOALNPEPTDP1PLK1
SCHEMBL8824970 0.74 MAOB (0.39) MAOBMAOALNPEPTDP1PLK1
SCHEMBL6960411 0.74 MAOB (0.45) MAOBMAOALNPEPPLK1SPHK2
SCHEMBL8824959 0.73 TDP1 (0.41) MAOBMAOATDP1PLK1
SCHEMBL6955421 0.73 FFAR1 (0.47)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
CN-1071333-C Quinoline derivative NIPPON CHEMIPHAR CO (JP) 2001-09-19 CN disclosed
CN-1170411-A Quinoline derivative NIPPON CHEMIPHAR CO (JP) 1998-01-14 CN disclosed
US-5693651-A HYPOGLYCEMIC AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1997-12-02 US disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed