SCHEMBL7780728

SCHEMBL7780728

CC(NC(c1ccc(F)cc1)c1cccc(Nc2c(N)c(=O)c2=O)c1)c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.37
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR3 Q99500 1/20 0.33
TDO2 P48775 1/20 0.32
IDO1 P14902 1/20 0.32
CXCR2 P25025 1/20 0.31
MAPK1 P28482 1/20 0.31
RPS6KB1 P23443 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
SCHEMBL7789355 0.91 MAPKAPK2 (0.46) MAPKAPK2MAPK14TDO2IDO1MAPK1
SCHEMBL7785589 0.91 MAPKAPK2 (0.45) MAPKAPK2MAPK14MAPK1
SCHEMBL7787770 0.90 KMT2A (0.40) MAPKAPK2MAPK14MEN1POLBKMT2A
SCHEMBL7785696 0.90 KMT2A (0.40) MAPKAPK2MAPK14MEN1POLBKMT2A
SCHEMBL7785675 0.90 KMT2A (0.40) MAPKAPK2MAPK14MEN1POLBKMT2A
SCHEMBL7780621 0.90 MAPKAPK2 (0.38) MAPKAPK2MAPK14MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL7787718 0.89 KMT2A (0.40) MAPKAPK2MAPK14MEN1POLBKMT2A
SCHEMBL7780735 0.88 MAPKAPK2 (0.38) MAPKAPK2MAPK14MEN1POLBKMT2A
SCHEMBL7789434 0.88 MAPKAPK2 (0.38) MAPKAPK2MAPK14MEN1POLBKMT2A
SCHEMBL7787623 0.88 CA1 (0.37) MAPKAPK2MAPK14MEN1POLBKMT2A

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US claimed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP claimed
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed