SCHEMBL20181306

SCHEMBL20181306

C[C@@H](Cc1ncc(Cl)cn1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 5/20 0.36
SCN5A Q14524 2/20 0.31
SCN10A Q9Y5Y9 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ACACB O00763 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL31324432 0.84 APLNR (0.35) APLNRSCN5ASCN10ASMN1; SMN2ACACB
SCHEMBL18253945 0.81 APLNR (0.44) APLNR
SCHEMBL19573889 0.81 APLNR (0.44) APLNR
SCHEMBL18647959 0.76 NPC1 (0.35) SCN5ASCN10ASMN1; SMN2ACACBALDH1A1
SCHEMBL18948134 0.72 NPC1 (0.33) SMN1; SMN2ACACBNPC1RAB9AHSD17B10
SCHEMBL1331883 0.72 NPC1 (0.33) SMN1; SMN2ACACBNPC1RAB9AHSD17B10
SCHEMBL20190471 0.70 APLNR (0.40) APLNRSMN1; SMN2
SCHEMBL20188474 0.69 APLNR (0.35) APLNRNPC1RAB9A
SCHEMBL20200283 0.69 APLNR (0.35) APLNRNPC1RAB9A
SCHEMBL20188472 0.69 APLNR (0.35) APLNRNPC1RAB9A

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-2018093580-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed