SCHEMBL17090510

SCHEMBL17090510

CCCCOc1ccc(NCCCCCNS(=O)(=O)C(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
POLB P06746 3/20 0.52
PKM P14618 1/20 0.52
HCAR3 P49019 2/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
PRSS1 P07477 2/20 0.42
MEN1 O00255 1/20 0.42
KAT2B Q92831 1/20 0.42

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
SCHEMBL17090508 0.85 MAPT (0.52) MAPTPOLBPKMHCAR3SMN1; SMN2
SCHEMBL10113571 0.85 MAPT (0.50) MAPTPOLBPKMSMN1; SMN2LMNA
SCHEMBL13564906 0.83 LMNA (0.39) MAPTPOLBPKMSMN1; SMN2LMNA
SCHEMBL13565637 0.83 L3MBTL1 (0.41) MAPTLMNAGAAHTTKMT2A
SCHEMBL11934990 0.82 KAT2B (0.58) MAPTPOLBPKMHCAR3LMNA
SCHEMBL13564897 0.81 LMNA (0.38) SMN1; SMN2LMNAMAPK1HTTNPC1
SCHEMBL11934985 0.77 NPC1 (0.48) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL13565817 0.77 THRB (0.46) MAPTLMNAHTTKMT2A
SCHEMBL17090137 0.77 MAPT (0.40) MAPTPOLBPKMHCAR3SMN1; SMN2
SCHEMBL4983931 0.76 MAPT (0.53) MAPTPOLBPKMHCAR3SMN1; 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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed