SCHEMBL9047833

SCHEMBL9047833

CC1Sc2c(OC(=O)O)c(=O)c3cc(F)c(F)c(F)c3n21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PIM3 Q86V86 1/20 0.36
CSNK1G1 Q9HCP0 1/20 0.36
STAT3 P40763 3/20 0.35
KDM4E B2RXH2 8/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 2/20 0.33
HSP90AA1 P07900 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TOP2A P11388 3/20 0.33
TOP2B Q02880 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 3/20 0.31
HSD17B10 Q99714 3/20 0.31
PRKD3 O94806 1/20 0.31
ALOX15 P16050 1/20 0.31
OPRM1 P35372 1/20 0.31
CLK2 P49760 1/20 0.31

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
SCHEMBL8094940 0.82 PIM1 (0.48) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL8320413 0.82 LMNA (0.41) PIM1GSK3AGSK3BPIM3TOP2A
SCHEMBL9673380 0.80 STAT3 (0.44) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL12835792 0.73 STAT3 (0.42) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694397 0.72 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL15789762 0.72 ALDH1A1 (0.52) PIM1GSK3AGSK3BPIM3KDM4E
SCHEMBL9242205 0.72 ALDH1A1 (0.52) PIM1GSK3AGSK3BPIM3KDM4E
SCHEMBL9782871 0.72 STAT3 (0.39) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL12835798 0.71 STAT3 (0.35) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9568366 0.71 MAPT (0.40) KDM4EALDH1A1POLBTOP2ATOP2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed