SCHEMBL9521886

SCHEMBL9521886

CCOC(=O)c1c2n(c3cc(N4CCNC(C)C4)c(F)cc3c1=O)CS2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 8/20 0.44
HPGD P15428 7/20 0.44
HSD17B10 Q99714 7/20 0.44
PRKD3 O94806 2/20 0.42
PIM1 P11309 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
IRAK1 P51617 1/20 0.42
RPS6KA3 P51812 1/20 0.42
DYRK1A Q13627 1/20 0.42
PIM3 Q86V86 1/20 0.42
CSNK1G3 Q9Y6M4 1/20 0.42
PMP22 Q01453 1/20 0.39
LMNA P02545 3/20 0.39
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
BRD4 O60885 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9522474 0.88 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10PRKD3
SCHEMBL10770596 0.87 KCNH2 (0.51) KDM4EALDH1A1HPGDHSD17B10PRKD3
SCHEMBL9522606 0.86 LMNA (0.51) KDM4EALDH1A1HPGDHSD17B10PRKD3
SCHEMBL9523430 0.86 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10PRKD3
SCHEMBL9675600 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10PRKD3
SCHEMBL9232558 0.84 LMNA (0.43) KDM4EALDH1A1HPGDHSD17B10PRKD3
SCHEMBL9523291 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9523083 0.82 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9525823 0.81 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10PRKD3
SCHEMBL10566885 0.81 PRKD3 (0.42) KDM4EALDH1A1HPGDHSD17B10PRKD3

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
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