SCHEMBL7785696

SCHEMBL7785696

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cccc(Nc3c(N)c(=O)c3=O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 2/20 0.40
MAPKAPK2 P49137 6/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
MAPK14 Q16539 1/20 0.34
TDO2 P48775 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACP3 P15309 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.32
GFER P55789 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASR P41180 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL7787770 1.00 KMT2A (0.40) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7785675 1.00 KMT2A (0.40) KMT2AMEN1POLBMAPKAPK2ALDH1A1
Hydrochloric Acid SCHEMBL7787718 0.99 KMT2A (0.40) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780560 0.91 ALDH1A1 (0.44) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7787655 0.91 ALDH1A1 (0.44) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780499 0.91 ALDH1A1 (0.37) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780728 0.90 MAPKAPK2 (0.37) KMT2AMEN1POLBMAPKAPK2MAPK14
SCHEMBL7787623 0.90 CA1 (0.37) KMT2AMEN1POLBMAPKAPK2MAPK14
SCHEMBL7780348 0.90 KMT2A (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780541 0.90 KMT2A (0.44) KMT2AMEN1POLBMAPKAPK2ALDH1A1

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