SCHEMBL9693769

SCHEMBL9693769

CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N(C)C)C4)c(Cl)c3n21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
PIM3 Q86V86 2/20 0.50
CSNK1G1 Q9HCP0 1/20 0.50
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
OPRM1 P35372 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRD1 P41143 1/20 0.44
LMNA P02545 2/20 0.41
PRKD3 O94806 2/20 0.41
IRAK1 P51617 1/20 0.41
RPS6KA3 P51812 1/20 0.41
DYRK1A Q13627 1/20 0.41
CSNK1G3 Q9Y6M4 1/20 0.41
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35

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
SCHEMBL9694446 1.00 PIM1 (0.50) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9693760 1.00 PIM1 (0.50) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692433 0.92 PIM1 (0.59) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692420 0.92 PIM1 (0.59) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694271 0.92 PIM1 (0.59) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9693657 0.88 PIM1 (0.39) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9693649 0.88 PIM1 (0.39) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694558 0.88 PIM1 (0.39) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9692577 0.88 PIM1 (0.65) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL9694087 0.88 PIM1 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126337-A Wide-spectrum bactericides HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-06-30 US disclosed
EP-0393538-A2 Thiazetoquinoline-3-Carboxylic acid derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 EP disclosed