SCHEMBL7785104

SCHEMBL7785104

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.43
LMNA P02545 2/20 0.43
APP P05067 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
ATM Q13315 1/20 0.39
AMY1A P0DUB6 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL7785020 0.91 GAA (0.40) GAAKMT2AMEN1LMNAMAPT
SCHEMBL7787701 0.90 MAPK1 (0.45) GAAKMT2AMEN1LMNAMAPT
SCHEMBL7780352 0.90 MAPK1 (0.45) GAAKMT2AMEN1LMNAMAPT
SCHEMBL7787867 0.90 MAPK1 (0.45) GAAKMT2AMEN1LMNAMAPT
SCHEMBL7785512 0.88 ALDH1A1 (0.41) GAAKMT2AMEN1LMNAAPP
SCHEMBL7785707 0.88 MAPT (0.43) GAAKMT2AMEN1LMNAMAPT
SCHEMBL7785523 0.84 MAPT (0.40) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7780785 0.81 TDP1 (0.43) GAAKMT2AMEN1LMNAAPP
SCHEMBL7784938 0.81 MAPK1 (0.45) GAAKMT2AMEN1LMNAMAPT
SCHEMBL7780356 0.81 MAPK1 (0.45) GAAKMT2AMEN1LMNAMAPT

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 3 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
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed