SCHEMBL1308086

SCHEMBL1308086

O=C(NCCn1cnc2cc(C(=O)N3CCCC4CCCC=C43)ccc21)N1CCC(O)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.41
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
GAA P10253 1/20 0.34
NAMPT P43490 1/20 0.34
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
OXTR P30559 1/20 0.33
F2 P00734 1/20 0.33
CYP11B2 P19099 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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 0.95 HPGD (0.42) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL1307673 0.89 HPGD (0.41) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL1306732 0.88 ALDH1A1 (0.45) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL1307651 0.88 HPGD (0.41) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL1307032 0.81 HPGD (0.46) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL3818854 0.81 HPGD (0.46) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL12034908 0.81 HPGD (0.43) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL1307339 0.80 HPGD (0.47) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL12053721 0.79 HPGD (0.42) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL12117301 0.79 HPGD (0.45) HPGDALDH1A1MAPK1MEN1KMT2A

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