SCHEMBL11080871

SCHEMBL11080871

CNCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
POLB P06746 2/20 0.63
KDM4E B2RXH2 2/20 0.54
MGAM O43451 1/20 0.51
MAPT P10636 3/20 0.49
FABP4 P15090 2/20 0.47
GCGR P47871 1/20 0.46
TP53 P04637 2/20 0.46
NOX1 Q9Y5S8 2/20 0.45
SMPD3 Q9NY59 1/20 0.45
ADRB2 P07550 2/20 0.45
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL14646372 0.87 MEN1 (0.72) MEN1KMT2APOLBKDM4EMGAM
SCHEMBL11076584 0.87 MEN1 (0.62) MEN1KMT2APOLBKDM4EMGAM
SCHEMBL11075285 0.84 MEN1 (0.67) MEN1KMT2APOLBKDM4EMGAM
SCHEMBL4196255 0.83 MEN1 (0.70) MEN1KMT2APOLBKDM4EMGAM
SCHEMBL29732712 0.83 MEN1 (0.70) MEN1KMT2APOLBKDM4EMGAM
Trifenagrel SCHEMBL31058836 0.83 MEN1 (0.63) MEN1KMT2APOLBKDM4EMGAM
Trifenagrel SCHEMBL4428157 0.83 MEN1 (0.63) MEN1KMT2APOLBKDM4EMGAM
SCHEMBL11070400 0.82 MEN1 (0.54) MEN1KMT2APOLBKDM4EMGAM
Trifenagrel SCHEMBL11078277 0.82 MEN1 (0.62) MEN1KMT2APOLBKDM4EMGAM
SCHEMBL11074884 0.82 MEN1 (0.53) MEN1KMT2APOLBKDM4EMGAM

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