SCHEMBL7780410

SCHEMBL7780410

COc1ccc(C(=O)c2cccc(C#N)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.63
STS P08842 2/20 0.58
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
P4HB P07237 1/20 0.53
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 1/20 0.50
GSK3B P49841 2/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49

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
SCHEMBL16396165 0.91 P4HB (0.63) VNN1STSALDH1A1P4HBMAPT
SCHEMBL2303699 0.84 STS (0.72) STSALDH1A1GAAMAPTMEN1
SCHEMBL3469060 0.84 VNN1 (0.63) VNN1ALDH1A1GAAMAPTMEN1
SCHEMBL10969744 0.84 ALDH1A1 (0.68) STSALDH1A1GAAMAPTMEN1
SCHEMBL4201889 0.82 ATM (0.63) VNN1ALDH1A1GSK3BL3MBTL1
SCHEMBL9078419 0.82 HPGD (0.66) VNN1STSALDH1A1P4HBLMNA
SCHEMBL4709783 0.82 VNN1 (0.52) VNN1STSALDH1A1P4HBMAPT
SCHEMBL8937532 0.81 P4HB (0.50) VNN1ALDH1A1P4HBMAPK1GSK3B
SCHEMBL8937528 0.81 P4HB (0.50) VNN1ALDH1A1P4HBMAPK1GSK3B
SCHEMBL4709037 0.81 VNN1 (0.51) VNN1STSALDH1A1P4HBLMNA

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 6 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
EP-0288189-B1 IMPROVEMENTS IN OR RELATING TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-11-11 EP disclosed
US-4853398-A ANTIALLERGENS ELI LILLY AND COMPANY (US) 1989-08-01 US disclosed
EP-0288189-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-26 EP disclosed