SCHEMBL9568452

SCHEMBL9568452

CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(-c4ccc(NC(=O)CN)cc4)cc3n21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PIM1 P11309 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
PIM3 Q86V86 2/20 0.38
PRKD3 O94806 1/20 0.38
IRAK1 P51617 1/20 0.38
RPS6KA3 P51812 1/20 0.38
DYRK1A Q13627 1/20 0.38
CSNK1G3 Q9Y6M4 1/20 0.38
TERT O14746 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL9568425 0.89 LMNA (0.44) LMNAPIM1GSK3AGSK3BPIM3
SCHEMBL9568383 0.87 LMNA (0.46) LMNAPIM1GSK3AGSK3BPIM3
SCHEMBL9568300 0.86 LMNA (0.46) LMNAPIM1GSK3AGSK3BPIM3
SCHEMBL9568327 0.86 LMNA (0.47) LMNAPIM1GSK3AGSK3BPIM3
SCHEMBL9568310 0.86 LMNA (0.43) LMNAPIM1GSK3AGSK3BPIM3
SCHEMBL9568404 0.85 LMNA (0.47) LMNAPIM1GSK3AGSK3BPIM3
SCHEMBL9568396 0.85 LMNA (0.49) LMNAPIM1GSK3AGSK3BPIM3
Hydrochloric Acid SCHEMBL9568307 0.84 LMNA (0.47) LMNAPIM1GSK3AGSK3BPIM3
SCHEMBL9568332 0.84 LMNA (0.49) LMNAPIM1GSK3AGSK3BPIM3
SCHEMBL9568363 0.84 LMNA (0.48) LMNAPIM1GSK3AGSK3BPIM3

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