SCHEMBL7780389

SCHEMBL7780389

COc1ccc(C(NC(C)c2cc(F)cc(F)c2)c2cccc(Nc3c(N)c(=O)c3=O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
MAPKAPK2 P49137 6/20 0.38
ACP3 P15309 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MAPK14 Q16539 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7780560 0.94 ALDH1A1 (0.44) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL7787655 0.94 ALDH1A1 (0.44) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL7780621 0.91 MAPKAPK2 (0.38) KMT2AMEN1POLBMAPKAPK2MAPK14
SCHEMBL7787667 0.90 MAPKAPK2 (0.46) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL7787545 0.90 MAPKAPK2 (0.42) MAPKAPK2CYP2D6CYP2C9MAPK14CYP3A4
SCHEMBL7785675 0.90 KMT2A (0.40) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL7785696 0.90 KMT2A (0.40) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL7787770 0.90 KMT2A (0.40) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL7780375 0.89 KMT2A (0.42) KMT2AMEN1POLBALDH1A1LMNA
Hydrochloric Acid SCHEMBL7787718 0.89 KMT2A (0.40) KMT2AMEN1POLBALDH1A1LMNA

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