SCHEMBL7264685

SCHEMBL7264685

CC(C)c1cc(I)cc2ccc(=O)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
EIF4A3 P38919 1/20 0.41
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
DAO P14920 1/20 0.34
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33
CSNK1A1 P48729 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
SCHEMBL8919071 0.78 EIF4A3 (0.54) GABRA1GABRB1EIF4A3THRB
SCHEMBL8919857 0.75 CA12 (0.55) GABRA1GABRB1GABRB2EIF4A3CA12
SCHEMBL7264698 0.74 DAO (0.41) CA12CA9DAOMAPTHCAR1
SCHEMBL8922856 0.73 EIF4A3 (0.40) GABRA1GABRB1EIF4A3CA12CA9
SCHEMBL29241812 0.73 CA12 (0.56) CA12CA9DAOMAPTHCAR1
SCHEMBL21133726 0.69 CA12 (0.52) EIF4A3CA12CA9DAOCHEK1
SCHEMBL19737508 0.68 CA12 (0.50) EIF4A3CA12CA9MAPTTHRB
SCHEMBL14828635 0.68 CA12 (0.54) EIF4A3CA12CA9DAOMAPT
SCHEMBL20125007 0.68 CA12 (0.50) EIF4A3CA12CA9DAOMAPT
SCHEMBL19737431 0.67 ADORA3 (0.43) CA12CA9METMAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4710507-A Quinolone inotropic agents PFIZER INC. (US) 1987-12-01 US disclosed
EP-0148623-A2 Quinolone inotropic agents Pfizer Limited (GB) 1985-07-17 EP disclosed