SCHEMBL1307651

SCHEMBL1307651

O=C(NCCn1cnc2cc(C(=O)N3CCCC4CCCC=C43)ccc21)N1CCS(=O)(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.41
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.33
NAMPT P43490 2/20 0.32
MAPT P10636 1/20 0.32
HSD11B1 P28845 1/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1306185 0.91 HPGD (0.42) HPGDALDH1A1MAPK1NPC1MEN1
SCHEMBL1306732 0.90 ALDH1A1 (0.45) HPGDALDH1A1MAPK1NPC1MEN1
SCHEMBL1307673 0.89 HPGD (0.41) HPGDALDH1A1MAPK1NPC1MEN1
SCHEMBL1308086 0.88 HPGD (0.41) HPGDALDH1A1MAPK1NPC1MEN1
SCHEMBL1307032 0.81 HPGD (0.46) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL12034901 0.81 HPGD (0.43) HPGDALDH1A1MAPK1NPC1MEN1
SCHEMBL3817760 0.79 HPGD (0.44) HPGDALDH1A1MAPK1GAA
SCHEMBL1307620 0.79 HPGD (0.46) HPGDALDH1A1NPC1MEN1KMT2A
SCHEMBL1306667 0.78 HPGD (0.42) HPGDALDH1A1MAPK1NPC1MEN1
SCHEMBL3809041 0.78 F2 (0.42) HPGDALDH1A1MEN1KMT2AGAA

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-8053431-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed