SCHEMBL13504170

SCHEMBL13504170

O=C(Nc1n[c]c(Cl)s1)c1cc(S(=O)(=O)c2cccs2)cn1Cc1ccc(Cl)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 5/20 0.36
PTGER3 P43115 3/20 0.34
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
NAMPT P43490 1/20 0.31
SLC6A9 P48067 1/20 0.31
PTGER4 P35408 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL13504193 0.94 SCN3A (0.38) SCN3APTGER3SCN5ASCN9ASLC6A9
SCHEMBL15104179 0.87 SCN3A (0.36) SCN3APTGER3SCN5ASCN9ANAMPT
SCHEMBL15104129 0.87 SCN3A (0.38) SCN3APTGER3SCN5ASCN9ANAMPT
SCHEMBL2660829 0.83 GCK (0.38) SCN3APTGER3SCN5ASCN9APTGER4
SCHEMBL2661832 0.81 PTGER3 (0.38) PTGER3PTGER4MEN1ALDH1A1KMT2A
SCHEMBL13053299 0.81 SCN3A (0.40) SCN3ASCN5ASCN9AMEN1HPGD
SCHEMBL3756320 0.80 NPC1 (0.35) PTGER3MEN1ALDH1A1HPGDTSHR
SCHEMBL3756302 0.78 GCK (0.39) SCN3APTGER3SCN5ASCN9AALDH1A1
SCHEMBL2661013 0.75 GRM4 (0.36) SCN3APTGER3MEN1ALDH1A1HPGD
SCHEMBL15104304 0.74 PTGER3 (0.34) SCN3APTGER3SCN9ANAMPTSLC6A9

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
US-8299115-B2 Pyrrole-2-carboxamide derivatives as glucokinase activators, their process and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2012-10-30 US disclosed