SCHEMBL9522528

SCHEMBL9522528

O=C(O)c1c2n(c3cc(Cl)c(F)cc3c1=O)CS2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.39
GSK3A P49840 3/20 0.39
PIM3 Q86V86 3/20 0.39
GSK3B P49841 2/20 0.39
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
PIM2 Q9P1W9 4/20 0.36
CSNK1G1 Q9HCP0 1/20 0.35
LMNA P02545 1/20 0.33
TBXA2R P21731 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL8323537 0.89 PIM1 (0.41) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL10972852 0.88 PIM1 (0.40) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL10744715 0.83 ALDH1A1 (0.44) PIM1GSK3APIM3PIM2LMNA
SCHEMBL9568448 0.81 PIM1 (0.37) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL9523354 0.79 PRKD3 (0.48) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL9525097 0.78 PRKD3 (0.47) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL9522977 0.78 ALDH1A1 (0.54) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL9440144 0.78 TOP2A (0.37) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL9523101 0.78 LMNA (0.53) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL9568451 0.78 PIM1 (0.37) PIM1GSK3APIM3GSK3BPRKD3

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 6 patents. 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
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US disclosed
EP-0249043-A2 Quinolinecarboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-12-16 EP disclosed
US-4659734-A BACTERICIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1987-04-21 US disclosed
EP-0058392-B1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1985-11-21 EP disclosed
EP-0058392-A1 Substituted carboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1982-08-25 EP disclosed