SCHEMBL9568401

SCHEMBL9568401

NCc1ccc(-c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(c3ccccc3F)S2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.35
LMNA P02545 1/20 0.34
PRKD3 O94806 1/20 0.34
PIM1 P11309 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
IRAK1 P51617 1/20 0.34
RPS6KA3 P51812 1/20 0.34
DYRK1A Q13627 1/20 0.34
PIM3 Q86V86 1/20 0.34
CSNK1G3 Q9Y6M4 1/20 0.34
BACE1 P56817 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
CHRM1 P11229 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
SCHEMBL9568385 0.92 LMNA (0.35) TOP1LMNAPRKD3PIM1GSK3A
SCHEMBL9568353 0.91 TOP1 (0.36) TOP1LMNAPRKD3PIM1GSK3A
SCHEMBL9568461 0.91 LMNA (0.36) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568442 0.90 PRKD3 (0.35) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568423 0.86 TOP1 (0.35) TOP1LMNAPRKD3PIM1GSK3A
SCHEMBL9568382 0.85 LMNA (0.35) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568327 0.84 LMNA (0.47) TOP1LMNAPRKD3PIM1GSK3A
SCHEMBL9568319 0.83 PRKD3 (0.35) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568303 0.81 LMNA (0.37) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568393 0.81 PRKD3 (0.36) LMNAPRKD3PIM1GSK3AGSK3B

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