SCHEMBL9568342

SCHEMBL9568342

COc1c(-c2ccc(N)cc2)c(F)cc2c(=O)c(C(=O)O)c3n(c12)C(c1ccccc1)S3

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.34
GSK3B P49841 3/20 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
EDNRB P24530 1/20 0.33
TOP2A P11388 3/20 0.33
TOP2B Q02880 3/20 0.33
DHODH Q02127 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL9568467 0.94 GSK3B (0.36) TOP1GSK3BPIM1GSK3APIM3
SCHEMBL9568346 0.91 TOP1 (0.40) TOP1GSK3BPIM1GSK3APIM3
SCHEMBL9568349 0.90 MAPT (0.38)
SCHEMBL9568312 0.88 TOP2A (0.41) TOP1GSK3BPIM1GSK3APIM3
SCHEMBL9568400 0.87 LMNA (0.37) TOP1GSK3BPIM1GSK3APIM3
SCHEMBL9233250 0.85 GSK3B (0.34) TOP1GSK3BPIM1GSK3APIM3
SCHEMBL9568311 0.85 TOP1 (0.41) TOP1GSK3BPIM1GSK3APIM3
SCHEMBL9568309 0.83 ALDH1A1 (0.39)
SCHEMBL9568348 0.82 LMNA (0.39) TOP1GSK3BPIM1GSK3APIM3
SCHEMBL9568343 0.81 TOP2A (0.42) GSK3BPIM1GSK3APIM3CSNK1G1

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-0551518-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-07-21 EP disclosed