SCHEMBL9231972

SCHEMBL9231972

COc1c(-c2ccccc2)c(F)cc2c(=O)c(C(=O)O)c3n(c12)C(CF)S3

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.37
TOP1 P11387 6/20 0.36
TOP2A P11388 2/20 0.35
TOP2B Q02880 2/20 0.35
DHODH Q02127 1/20 0.34
LMNA P02545 1/20 0.34
PIM1 P11309 1/20 0.34
GSK3A P49840 1/20 0.34
PIM3 Q86V86 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
KCNH2 Q12809 1/20 0.33
EDNRB P24530 1/20 0.32

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
SCHEMBL9233250 0.92 GSK3B (0.34) GSK3BTOP1TOP2ATOP2BLMNA
SCHEMBL9568348 0.87 LMNA (0.39) GSK3BTOP1TOP2ATOP2BDHODH
SCHEMBL9231610 0.87 TOP2A (0.41) GSK3BTOP2ATOP2BLMNAPIM1
SCHEMBL9568467 0.86 GSK3B (0.36) GSK3BTOP1TOP2ATOP2BDHODH
SCHEMBL9233561 0.85 TOP2A (0.35) GSK3BTOP2ATOP2BLMNAPIM1
SCHEMBL9234377 0.83 EDNRB (0.36) GSK3BTOP2ATOP2BLMNAPIM1
SCHEMBL9568342 0.80 TOP1 (0.34) GSK3BTOP1TOP2ATOP2BDHODH
SCHEMBL9568346 0.80 TOP1 (0.40) GSK3BTOP1PIM1GSK3APIM3
SCHEMBL9568400 0.79 LMNA (0.37) GSK3BTOP1TOP2ATOP2BLMNA
SCHEMBL9568299 0.79 MAPT (0.40) LMNA

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
EP-0675127-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-10-04 EP disclosed