SCHEMBL1496461

SCHEMBL1496461

Nc1cc(NC(=O)Cc2cccs2)ccc1NCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
RAB9A P51151 4/20 0.47
POLB P06746 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
CTDSP1 Q9GZU7 2/20 0.46
L3MBTL1 Q9Y468 2/20 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
SCHEMBL1496783 0.84 MEN1 (0.54) MEN1KMT2ARAB9APOLBSMN1; SMN2
SCHEMBL3930758 0.79 PTGER4 (0.51) MEN1KMT2ARAB9AALDH1A1
SCHEMBL3970983 0.78 PTGER4 (0.50) ALDH1A1HSD17B10HPGD
SCHEMBL15618365 0.77 DNMT1 (0.63) MEN1KMT2ARAB9APOLBSMN1; SMN2
SCHEMBL1496460 0.77 MEN1 (0.49) MEN1KMT2ARAB9APOLBSMN1; SMN2
SCHEMBL13876936 0.76 PTGER4 (0.51) ALDH1A1ALOX15TP53
SCHEMBL4968818 0.75 ALDH1A1 (0.49) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL3975552 0.75 PTGER4 (0.47) RAB9ASMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL5881733 0.71 PTGER4 (0.56) ALDH1A1L3MBTL1
SCHEMBL15618424 0.71 MAPK10 (0.53) MEN1KMT2ARAB9APOLBSMN1; SMN2

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-2011023722-A1 NOVEL QUINOXALINONE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-03 WO disclosed