SCHEMBL7780336

SCHEMBL7780336

COc1c(Nc2cccc(C(NC(C)c3cc(F)cc(F)c3)c3ccccc3)c2)c(=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
MAPK14 Q16539 1/20 0.38
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 3/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AURKB Q96GD4 3/20 0.34
ROCK1 Q13464 2/20 0.34
PDGFRA P16234 2/20 0.34
CSNK1G1 Q9HCP0 2/20 0.34
DCLK1 O15075 1/20 0.34
ROCK2 O75116 1/20 0.34
CHEK2 O96017 1/20 0.34
GSK3A P49840 1/20 0.34

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
SCHEMBL7780375 0.93 KMT2A (0.42) MAPKAPK2MEN1KMT2APOLBMAPK14
SCHEMBL7787611 0.91 MAPKAPK2 (0.46) MAPKAPK2MEN1KMT2APOLBMAPK14
SCHEMBL7780422 0.89 MAPKAPK2 (0.41) MAPKAPK2MAPK14MAPK1AURKBROCK1
SCHEMBL7780556 0.87 ALDH1A1 (0.44) MAPKAPK2MEN1KMT2APOLBTSHR
SCHEMBL7780332 0.86 MEN1 (0.48) MAPKAPK2MEN1KMT2APOLBTSHR
SCHEMBL7789059 0.85 MAPKAPK2 (0.49) MAPKAPK2MEN1KMT2AMAPK14GAA
SCHEMBL7787545 0.85 MAPKAPK2 (0.42) MAPKAPK2MAPK14MAPK1AURKBROCK1
SCHEMBL7780525 0.85 MAPKAPK2 (0.42) MAPKAPK2MAPK14MAPK1AURKBROCK1
SCHEMBL7780311 0.85 MEN1 (0.39) MAPKAPK2MEN1KMT2APOLBMAPK14
SCHEMBL7787853 0.85 KMT2A (0.38) MAPKAPK2MEN1KMT2APOLBMAPK14

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 2 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 disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed