SCHEMBL8094940

SCHEMBL8094940

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.48
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
PIM3 Q86V86 2/20 0.48
CSNK1G1 Q9HCP0 1/20 0.48
LMNA P02545 2/20 0.45
PRKD3 O94806 1/20 0.39
IRAK1 P51617 1/20 0.39
RPS6KA3 P51812 1/20 0.39
DYRK1A Q13627 1/20 0.39
CSNK1G3 Q9Y6M4 1/20 0.39
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TOP2A P11388 6/20 0.32
TOP2B Q02880 6/20 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
SCHEMBL9694397 0.89 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9568437 0.85 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9673380 0.84 STAT3 (0.44) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9673522 0.83 PIM1 (0.55) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9674886 0.83 PIM1 (0.55) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9047833 0.82 PIM1 (0.36) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9673120 0.82 PIM1 (0.54) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9672865 0.82 PIM1 (0.54) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9568439 0.82 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL3004295 0.82 LMNA (0.56) PIM1GSK3AGSK3BPIM3CSNK1G1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
US-5739339-A BACTERICIDES, ANTIPROTOZOA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed