SCHEMBL9673247

SCHEMBL9673247

CCOC(=O)c1c2n(c3c(F)c(N4CCOCC4)c(F)cc3c1=O)CS2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
DGAT1 O75907 8/20 0.41
SOAT1 P35610 7/20 0.41
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
PIK3CA P42336 1/20 0.37
PIM1 P11309 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PIM3 Q86V86 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37
ALOX15 P16050 1/20 0.37
STAT3 P40763 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL9675966 0.90 KDM4E (0.46) KMT2AALDH1A1HSD17B10HPGDKDM4E
SCHEMBL9675363 0.90 KDM4E (0.47) KMT2AALDH1A1HSD17B10HPGDKDM4E
SCHEMBL9674720 0.89 KDM4E (0.39) KMT2AALDH1A1HSD17B10HPGDKDM4E
SCHEMBL9673696 0.86 PIM1 (0.48) KMT2AALDH1A1HSD17B10HPGDKDM4E
SCHEMBL9675123 0.84 PIM1 (0.56) ALDH1A1HSD17B10HPGDKDM4EPIM1
SCHEMBL9791223 0.83 KMT2A (0.47) KMT2AALDH1A1HSD17B10HPGDKDM4E
SCHEMBL9675600 0.83 KDM4E (0.54) KMT2AALDH1A1HSD17B10HPGDKDM4E
SCHEMBL9674347 0.83 PIM1 (0.44) KMT2AALDH1A1HSD17B10HPGDKDM4E
SCHEMBL9673781 0.82 PIM1 (0.43) KMT2AALDH1A1HSD17B10HPGDKDM4E
SCHEMBL9791269 0.82 KDM4E (0.45) KMT2AALDH1A1HSD17B10HPGDKDM4E

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