SCHEMBL11072103

SCHEMBL11072103

c1ccc(CN(CCOc2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)Cc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 2/20 0.60
MGAM O43451 1/20 0.48
KDM4E B2RXH2 1/20 0.45
FABP4 P15090 1/20 0.44
MAPT P10636 2/20 0.44
ALOX5 P09917 1/20 0.43
GCGR P47871 2/20 0.41
PDE5A O76074 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TP53 P04637 1/20 0.41
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
RAF1 P04049 1/20 0.41

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
SCHEMBL11077260 0.93 MEN1 (0.54) MEN1KMT2APOLBMGAMKDM4E
SCHEMBL11070403 0.89 MEN1 (0.57) MEN1KMT2APOLBMGAMKDM4E
SCHEMBL11080279 0.87 MEN1 (0.61) MEN1KMT2APOLBMGAMKDM4E
Trifenagrel SCHEMBL31058836 0.85 MEN1 (0.63) MEN1KMT2APOLBMGAMKDM4E
Trifenagrel SCHEMBL4428157 0.85 MEN1 (0.63) MEN1KMT2APOLBMGAMKDM4E
SCHEMBL14646372 0.84 MEN1 (0.72) MEN1KMT2APOLBMGAMKDM4E
Trifenagrel SCHEMBL11078277 0.84 MEN1 (0.62) MEN1KMT2APOLBMGAMKDM4E
SCHEMBL11074885 0.84 MEN1 (0.56) MEN1KMT2APOLBMGAMKDM4E
SCHEMBL11074701 0.83 MEN1 (0.53) MEN1KMT2APOLBMGAMKDM4E
SCHEMBL11077438 0.82 MEN1 (0.53) MEN1KMT2APOLBMGAMMAPT

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 claimed
EP-0058890-B1 ANTITHROMBOTIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1984-09-26 EP disclosed