SCHEMBL9694033

SCHEMBL9694033

CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](NC(=O)OC(C)(C)C)C4)c(Cl)c3n21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.45
PIM3 Q86V86 3/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
CSNK1G1 Q9HCP0 1/20 0.45
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
LMNA P02545 1/20 0.39
PIM2 Q9P1W9 1/20 0.37
PRKD3 O94806 1/20 0.37
IRAK1 P51617 1/20 0.37
RPS6KA3 P51812 1/20 0.37
DYRK1A Q13627 1/20 0.37
CSNK1G3 Q9Y6M4 1/20 0.37
TOP1 P11387 1/20 0.36
SUV39H2 Q9H5I1 9/20 0.36

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
SCHEMBL9694038 1.00 PIM1 (0.45) PIM1PIM3GSK3AGSK3BCSNK1G1
SCHEMBL9694293 0.93 PIM1 (0.53) PIM1PIM3GSK3AGSK3BCSNK1G1
SCHEMBL9694287 0.93 PIM1 (0.53) PIM1PIM3GSK3AGSK3BCSNK1G1
SCHEMBL9692687 0.90 PIM1 (0.36) PIM1PIM3GSK3AGSK3BCSNK1G1
SCHEMBL9694518 0.90 PIM1 (0.36) PIM1PIM3GSK3AGSK3BCSNK1G1
SCHEMBL9692671 0.90 PIM1 (0.36) PIM1PIM3GSK3AGSK3BCSNK1G1
SCHEMBL9694416 0.88 PIM1 (0.47) PIM1PIM3GSK3AGSK3BCSNK1G1
SCHEMBL9694412 0.88 PIM1 (0.47) PIM1PIM3GSK3AGSK3BCSNK1G1
SCHEMBL9694507 0.87 PIM1 (0.50) PIM1PIM3GSK3AGSK3BCSNK1G1
SCHEMBL9694515 0.87 PIM1 (0.50) PIM1PIM3GSK3AGSK3BCSNK1G1

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