SCHEMBL9675220

SCHEMBL9675220

CCOC(=O)c1c2n(c3c(F)c(N4CCN(C)CC4)c(F)cc3c1=O)C(c1ccccc1)S2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRA2B P18089 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 3/20 0.40
PIM1 P11309 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PIM3 Q86V86 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
ALB P02768 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL9673660 0.93 KDM4E (0.42) KDM4EMEN1KMT2AADRA2BMAPK1
SCHEMBL9791232 0.91 KMT2A (0.45) KDM4EMEN1KMT2AADRA2BMAPK1
SCHEMBL9674476 0.91 PIM1 (0.39) KDM4EMEN1KMT2AHPGDHSD17B10
SCHEMBL9674781 0.89 PIM1 (0.49) KDM4EMEN1KMT2AADRA2BMAPK1
SCHEMBL9674329 0.88 KDM4E (0.41) KDM4EMEN1KMT2AADRA2BMAPK1
SCHEMBL9673019 0.86 KDM4E (0.46) KDM4EMEN1KMT2AADRA2BMAPK1
SCHEMBL9791230 0.86 KDM4E (0.40) KDM4EMEN1KMT2AADRA2BMAPK1
SCHEMBL9523011 0.85 LMNA (0.46) KDM4EMEN1KMT2AHPGDHSD17B10
SCHEMBL9229244 0.84 KDM4E (0.46) KDM4EMEN1KMT2AADRA2BMAPK1
SCHEMBL9673063 0.84 HTR7 (0.39) KDM4EMEN1KMT2AHPGDHSD17B10

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