SCHEMBL11076584

SCHEMBL11076584

c1ccc(NCCOc2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
POLB P06746 2/20 0.62
FABP4 P15090 2/20 0.51
MGAM O43451 1/20 0.50
KDM4E B2RXH2 2/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.45
MAPK14 Q16539 4/20 0.44
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
MAPK13 O15264 3/20 0.43
GCGR P47871 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL11080871 0.87 MEN1 (0.63) MEN1KMT2APOLBFABP4MGAM
SCHEMBL14646372 0.86 MEN1 (0.72) MEN1KMT2APOLBFABP4MGAM
SCHEMBL11075285 0.83 MEN1 (0.67) MEN1KMT2APOLBFABP4MGAM
SCHEMBL29732712 0.80 MEN1 (0.70) MEN1KMT2APOLBFABP4MGAM
SCHEMBL4196255 0.80 MEN1 (0.70) MEN1KMT2APOLBFABP4MGAM
Trifenagrel SCHEMBL31058836 0.80 MEN1 (0.63) MEN1KMT2APOLBFABP4MGAM
Trifenagrel SCHEMBL4428157 0.80 MEN1 (0.63) MEN1KMT2APOLBFABP4MGAM
SCHEMBL11070400 0.79 MEN1 (0.54) MEN1KMT2APOLBFABP4MGAM
Trifenagrel SCHEMBL11078277 0.79 MEN1 (0.62) MEN1KMT2APOLBFABP4MGAM
SCHEMBL11074884 0.79 MEN1 (0.53) MEN1KMT2APOLBFABP4MGAM

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
EP-0058890-B1 ANTITHROMBOTIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1984-09-26 EP disclosed
EP-0058890-A1 Antithrombotic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1982-09-01 EP disclosed