SCHEMBL9568400

SCHEMBL9568400

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
GSK3B P49841 3/20 0.37
PIM1 P11309 2/20 0.37
GSK3A P49840 2/20 0.37
PIM3 Q86V86 2/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37
TOP2A P11388 4/20 0.34
TOP2B Q02880 4/20 0.34
PRKD3 O94806 2/20 0.34
IRAK1 P51617 1/20 0.34
RPS6KA3 P51812 1/20 0.34
DYRK1A Q13627 1/20 0.34
CSNK1G3 Q9Y6M4 1/20 0.34
TOP1 P11387 5/20 0.33
KCNH2 Q12809 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 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
SCHEMBL9568348 0.91 LMNA (0.39) LMNAGSK3BPIM1GSK3APIM3
SCHEMBL9568432 0.90 TOP1 (0.39) LMNAGSK3BPIM1GSK3APIM3
SCHEMBL9568306 0.89 LMNA (0.36) LMNAGSK3BPIM1GSK3APIM3
SCHEMBL9568304 0.89 LMNA (0.36) LMNAGSK3BPIM1GSK3APIM3
SCHEMBL9568449 0.88 PRKCZ (0.38) LMNAPOLBALDH1A1HPGDALOX15
SCHEMBL9568439 0.88 PIM1 (0.43) LMNAGSK3BPIM1GSK3APIM3
SCHEMBL9233250 0.88 GSK3B (0.34) LMNAGSK3BPIM1GSK3APIM3
SCHEMBL9568342 0.87 TOP1 (0.34) GSK3BPIM1GSK3APIM3CSNK1G1
Hydrochloric Acid SCHEMBL9568570 0.85 LMNA (0.36) LMNAGSK3BPIM1GSK3APIM3
SCHEMBL9568328 0.82 GSK3B (0.36) 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