SCHEMBL9675600

SCHEMBL9675600

CCOC(=O)c1c2n(c3c(F)c(N4CCNC(C)C4)c(F)cc3c1=O)CS2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
HPGD P15428 5/20 0.54
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 4/20 0.54
PMP22 Q01453 1/20 0.53
KCNH2 Q12809 2/20 0.44
POLB P06746 1/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
OPRM1 P35372 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PIM1 P11309 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
PIM3 Q86V86 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
CYP2C19 P33261 1/20 0.37
ALK Q9UM73 2/20 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
SCHEMBL9674720 0.88 KDM4E (0.39) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9672338 0.87 KDM4E (0.58) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9674347 0.86 PIM1 (0.44) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9675123 0.85 PIM1 (0.56) KDM4EHPGDALDH1A1HSD17B10POLB
SCHEMBL9521886 0.84 KDM4E (0.44) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9673781 0.84 PIM1 (0.43) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9675363 0.84 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10PIM1
SCHEMBL9675966 0.84 KDM4E (0.46) KDM4EHPGDALDH1A1HSD17B10PIM1
SCHEMBL9673247 0.83 KMT2A (0.48) KDM4EHPGDALDH1A1HSD17B10ALOX15
SCHEMBL9791269 0.82 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011831-A Bactericides NIPPON SHINYAKU CO. LTD. (JP) 1991-04-30 US claimed
EP-0315827-B1 DERIVATIVES OF QUINOLINECARBOXYLIC ACID NIPPON SHINYAKU COMPANY, LIMITED (JP) 1992-04-08 EP disclosed
US-5011831-A Bactericides NIPPON SHINYAKU CO. LTD. (JP) 1991-04-30 US disclosed
EP-0315827-A1 Derivatives of quinolinecarboxylic acid NIPPON SHINYAKU COMPANY, LIMITED (JP) 1989-05-17 EP disclosed