SCHEMBL28056993

SCHEMBL28056993

O=[SH](=O)Cc1cnc2ccc(Cl)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.43
KLKB1 P03952 8/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAP4K1 Q92918 3/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
MET P08581 1/20 0.33
KDR P35968 1/20 0.33
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL9814928 0.78 FAAH (0.43) FAAHPDGFRBPDGFRAKDRHTR3A
SCHEMBL24338030 0.78 FAAH (0.45) FAAHKLKB1MAP4K1PDGFRBPDGFRA
SCHEMBL27466882 0.78 CYP1A2 (0.47) FAAHPDGFRBPDGFRA
SCHEMBL28158715 0.77 FAAH (0.42) FAAHKLKB1MAP4K1MET
SCHEMBL8099185 0.74 PDE10A (0.43) FAAHKLKB1PDGFRBPDGFRAMET
SCHEMBL27960121 0.74 PDGFRB (0.30) PDGFRBPDGFRA
SCHEMBL28158830 0.73 MAOB (0.43) FAAHKLKB1MAP4K1
SCHEMBL3604906 0.71 TDP1 (0.46) FAAHPDE3BPDE3APDGFRBPDGFRA
SCHEMBL8299460 0.71 MAPT (0.51) FAAH
SCHEMBL17442812 0.69 KLKB1 (0.42) KLKB1MAP4K1

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-103153063-B Quinoline derivatives and melk inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-02-17 CN disclosed