SCHEMBL11077438

SCHEMBL11077438

CN(CCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
GCGR P47871 6/20 0.50
ALOX5 P09917 1/20 0.48
MAPK14 Q16539 5/20 0.44
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
RAF1 P04049 1/20 0.44
SLC6A9 P48067 1/20 0.42
MGAM O43451 1/20 0.42
MAPT P10636 1/20 0.41
HTR7 P34969 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOX1 Q9Y5S8 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
SCHEMBL11070403 0.93 MEN1 (0.57) MEN1KMT2APOLBGCGRALOX5
SCHEMBL11074701 0.91 MEN1 (0.53) MEN1KMT2APOLBALOX5HTR1D
SCHEMBL11074981 0.89 MEN1 (0.52) MEN1KMT2APOLBALOX5MAPK14
SCHEMBL11074728 0.86 MEN1 (0.50) MEN1KMT2APOLBALOX5SLC6A9
SCHEMBL11074885 0.84 MEN1 (0.56) MEN1KMT2APOLBGCGRALOX5
Trifenagrel SCHEMBL31058836 0.83 MEN1 (0.63) MEN1KMT2APOLBGCGRALOX5
Trifenagrel SCHEMBL4428157 0.83 MEN1 (0.63) MEN1KMT2APOLBGCGRALOX5
SCHEMBL11072103 0.82 MEN1 (0.60) MEN1KMT2APOLBGCGRALOX5
Trifenagrel SCHEMBL11078277 0.82 MEN1 (0.62) MEN1KMT2APOLBGCGRALOX5
SCHEMBL11077260 0.80 MEN1 (0.54) MEN1KMT2APOLBGCGRALOX5

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