SCHEMBL1496460

SCHEMBL1496460

CN(c1ccc(NC(=O)Cc2cccs2)cc1N)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.49
KMT2A Q03164 11/20 0.49
POLB P06746 9/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 3/20 0.49
CASP6 P55212 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
ESR1 P03372 2/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
BLM P54132 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 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
SCHEMBL15618363 0.78 DNMT1 (0.62) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL1496461 0.77 MEN1 (0.47) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL15618423 0.71 MAPK10 (0.53) MEN1KMT2APOLBRAB9ACASP6
SCHEMBL6816361 0.70 POLB (0.73) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL23867550 0.68 POLB (0.76) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL1568578 0.68 CYP3A4 (0.70) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL10817708 0.67 POLB (0.68) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL7665966 0.66 HTR1F (0.61) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL1496783 0.66 MEN1 (0.54) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL10813685 0.66 POLB (0.75) MEN1KMT2APOLBRAB9ANPC1

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