SCHEMBL6825948

SCHEMBL6825948

CN(NS(=O)(=O)c1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
F2 P00734 4/20 0.55
PRSS1 P07477 3/20 0.55
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LARS1 Q9P2J5 1/20 0.49
KAT6A Q92794 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
ATM Q13315 1/20 0.48

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
SCHEMBL10616528 0.77 L3MBTL1 (0.60) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL3267161 0.76 F2 (0.62) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL7948519 0.73 L3MBTL1 (0.55) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL7371173 0.73 SLC1A3 (0.59) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL6825950 0.73 NPC1 (0.52) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL29492938 0.73 L3MBTL1 (0.64) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL11162145 0.73 L3MBTL1 (0.64) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL6848743 0.73 KAT6A (0.63) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL11032473 0.73 L3MBTL1 (0.62) L3MBTL1F2PRSS1PRSS2PRSS3
SCHEMBL10448919 0.72 L3MBTL1 (0.59) L3MBTL1LMNASMN1; SMN2KAT6AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004067522-A1 AZAPHENYLALANINE DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS LEK PHARMACEUTICALS D.D. (SI) 2004-08-12 WO disclosed