SCHEMBL2649348

SCHEMBL2649348

NNS(=O)(=O)c1ccc(O)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.50
HSD17B2 P37059 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
SERPINE1 P05121 1/20 0.48
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 2/20 0.47
MEN1 O00255 1/20 0.47
CASP6 P55212 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACLY P53396 1/20 0.45
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL9300666 0.82 SERPINE1 (0.70) PTGS1PTGS2SERPINE1CA1CA2
SCHEMBL416745 0.82 FLT1 (0.53) CA1CA2CA9MEN1CASP6
SCHEMBL1803937 0.80 PTGS1 (0.66) PTGS1PTGS2CA1CA2CA9
SCHEMBL20651836 0.79 MEP1B (0.53) CA1CA2CA9MEN1CASP6
SCHEMBL68932 0.78 GAA (0.57) HSD17B3HSD17B2PTGS1PTGS2SERPINE1
SCHEMBL9341624 0.78 GAA (0.57) HSD17B3HSD17B2PTGS1PTGS2SERPINE1
SCHEMBL29598983 0.78 GAA (0.57) HSD17B3HSD17B2PTGS1PTGS2SERPINE1
SCHEMBL6262301 0.78 FLT1 (0.57) PTGS1PTGS2CA2MEN1CASP6
SCHEMBL10993669 0.78 FLT1 (0.56) PTGS1PTGS2CA1CA2CA9
SCHEMBL10904392 0.77 ALDH1A1 (0.49) HSD17B3HSD17B2SERPINE1MEN1KMT2A

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
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed