SCHEMBL7784992

SCHEMBL7784992

COc1cc(OC)cc(C(C)NC(c2ccc(F)cc2)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.39
NFE2L2 Q16236 1/20 0.39
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL27530409 0.92 MAPK1 (0.47) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL7785483 0.92 MAPK1 (0.47) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL7785152 0.89 MAPK1 (0.46) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL7780564 0.89 MAPK1 (0.46) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL27533527 0.88 MEN1 (0.40) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL7787532 0.88 MEN1 (0.40) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL7780405 0.87 LMNA (0.48) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL7780373 0.87 LMNA (0.48) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL7788967 0.86 MAPK1 (0.51) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL7780324 0.86 CRHBP (0.47) MAPTMEN1KMT2AHTTALDH1A1

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