SCHEMBL9568467

SCHEMBL9568467

COc1c(-c2ccccc2)c(F)cc2c(=O)c(C(=O)O)c3n(c12)C(c1ccccc1)S3

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.36
TOP2A P11388 5/20 0.35
TOP2B Q02880 5/20 0.35
TOP1 P11387 4/20 0.35
DHODH Q02127 1/20 0.35
PIM1 P11309 1/20 0.34
GSK3A P49840 1/20 0.34
PIM3 Q86V86 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 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
SCHEMBL9568342 0.94 TOP1 (0.34) GSK3BTOP2ATOP2BTOP1DHODH
SCHEMBL9568346 0.91 TOP1 (0.40) GSK3BTOP1PIM1GSK3APIM3
SCHEMBL9568309 0.89 ALDH1A1 (0.39) KDM4EHPGDPOLB
SCHEMBL9568348 0.88 LMNA (0.39) GSK3BTOP2ATOP2BTOP1DHODH
SCHEMBL9568343 0.87 TOP2A (0.42) GSK3BTOP2ATOP2BPIM1GSK3A
SCHEMBL9231972 0.86 GSK3B (0.37) GSK3BTOP2ATOP2BTOP1DHODH
SCHEMBL9568311 0.85 TOP1 (0.41) GSK3BTOP1PIM1GSK3APIM3
SCHEMBL9568349 0.84 MAPT (0.38) KDM4EHPGDPOLB
SCHEMBL9523210 0.82 KDM4E (0.43) GSK3BTOP1PIM1GSK3APIM3
SCHEMBL9568312 0.81 TOP2A (0.41) GSK3BTOP2ATOP2BTOP1PIM1

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