SCHEMBL11075285

SCHEMBL11075285

NCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
POLB P06746 2/20 0.67
TP53 P04637 2/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
MGAM O43451 1/20 0.55
KDM4E B2RXH2 1/20 0.51
FABP4 P15090 1/20 0.49
MAPT P10636 2/20 0.49
MAPK14 Q16539 5/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
MAPK13 O15264 4/20 0.47
MAPK12 P53778 4/20 0.47
MAPK11 Q15759 4/20 0.47
RAF1 P04049 2/20 0.47
MAPK9 P45984 1/20 0.47
PDE5A O76074 1/20 0.46
NT5E P21589 1/20 0.46

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 0.91 MEN1 (0.72) MEN1KMT2APOLBTP53MGAM
SCHEMBL29732712 0.84 MEN1 (0.70) MEN1KMT2APOLBTP53MGAM
SCHEMBL4196255 0.84 MEN1 (0.70) MEN1KMT2APOLBTP53MGAM
SCHEMBL11080871 0.84 MEN1 (0.63) MEN1KMT2APOLBTP53MGAM
Trifenagrel SCHEMBL31058836 0.84 MEN1 (0.63) MEN1KMT2APOLBTP53MGAM
Trifenagrel SCHEMBL4428157 0.84 MEN1 (0.63) MEN1KMT2APOLBTP53MGAM
Trifenagrel SCHEMBL11078277 0.83 MEN1 (0.62) MEN1KMT2APOLBMGAMKDM4E
SCHEMBL11076584 0.83 MEN1 (0.62) MEN1KMT2APOLBTP53MGAM
SCHEMBL11080279 0.82 MEN1 (0.61) MEN1KMT2APOLBTP53MGAM
SCHEMBL11072103 0.81 MEN1 (0.60) MEN1KMT2APOLBTP53MGAM

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