SCHEMBL7787461

SCHEMBL7787461

COc1ccc(C(NCc2ccc(F)c(F)c2)c2cccc(N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
CASR P41180 4/20 0.45
ADRB2 P07550 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
S1PR3 Q99500 1/20 0.36
MITF O75030 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR35 Q9HC97 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7780362 0.87 TDP1 (0.50) TDP1CASRMEN1KMT2AALDH1A1
SCHEMBL7787859 0.87 TDP1 (0.38) TDP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7784940 0.82 TDP1 (0.50) TDP1CASRMEN1KMT2AALDH1A1
SCHEMBL7780329 0.80 ALDH1A1 (0.39) TDP1CASRADRB2KMT2AL3MBTL1
SCHEMBL7785127 0.79 ALDH1A1 (0.41) TDP1CASRMEN1KMT2AL3MBTL1
SCHEMBL7780432 0.79 ALDH1A1 (0.41) TDP1CASRMEN1KMT2AL3MBTL1
SCHEMBL7780640 0.79 ALDH1A1 (0.41) TDP1CASRMEN1KMT2AL3MBTL1
SCHEMBL7789351 0.77 TDP1 (0.41) TDP1CASRMEN1KMT2AL3MBTL1
SCHEMBL7803612 0.77 TDP1 (0.45) TDP1CASRMEN1KMT2AL3MBTL1
SCHEMBL28744674 0.76 ALDH1A1 (0.39) CASRL3MBTL1ALDH1A1MAPTHTT

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