SCHEMBL9524952

SCHEMBL9524952

CC(=O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(c3ccccc3)S2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
PRKD3 O94806 1/20 0.46
PIM1 P11309 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
IRAK1 P51617 1/20 0.46
RPS6KA3 P51812 1/20 0.46
DYRK1A Q13627 1/20 0.46
PIM3 Q86V86 1/20 0.46
CSNK1G3 Q9Y6M4 1/20 0.46
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
TOP2B Q02880 2/20 0.42
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL10567337 0.90 LMNA (0.47) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9525499 0.88 LMNA (0.52) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9521788 0.87 LMNA (0.70) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9522499 0.85 LMNA (0.50) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9674390 0.84 LMNA (0.79) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL10567712 0.82 LMNA (0.55) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9523012 0.82 LMNA (0.49) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9522744 0.81 LMNA (0.53) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL13772016 0.80 LMNA (0.69) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9523317 0.80 LMNA (0.51) 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-0249043-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-04 EP disclosed