SCHEMBL9568310

SCHEMBL9568310

CC(O)C(=O)Nc1ccc(-c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
PRKD3 O94806 1/20 0.36
PIM1 P11309 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
IRAK1 P51617 1/20 0.36
RPS6KA3 P51812 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIM3 Q86V86 1/20 0.36
CSNK1G3 Q9Y6M4 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 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
SCHEMBL9568399 0.87 LMNA (0.43) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568383 0.87 LMNA (0.46) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568396 0.87 LMNA (0.49) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568452 0.86 LMNA (0.44) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568300 0.84 LMNA (0.46) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568363 0.84 LMNA (0.48) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568381 0.84 LMNA (0.49) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568404 0.83 LMNA (0.47) LMNAPRKD3PIM1GSK3AGSK3B
Hydrochloric Acid SCHEMBL9568307 0.82 LMNA (0.47) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9568332 0.82 LMNA (0.49) 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