SCHEMBL17090338

SCHEMBL17090338

CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(-c2csnn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.44
MGLL Q99685 3/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
NOTUM Q6P988 1/20 0.40
MDM2 Q00987 1/20 0.39
GAA P10253 3/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDH1 O75874 1/20 0.37
PTPN1 P18031 1/20 0.37
NPY5R Q15761 1/20 0.37
PLK1 P53350 1/20 0.37
AGTR1 P30556 1/20 0.36

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
SCHEMBL17089975 0.84 PTPN1 (0.47) PKMNPC1RAB9ALMNAALDH1A1
SCHEMBL17090341 0.84 NPY5R (0.49) PKMNPC1RAB9ALMNAALDH1A1
SCHEMBL10113460 0.84 LMNA (0.55) PKMNPC1RAB9ALMNAALDH1A1
SCHEMBL10113605 0.78 MGLL (0.44) PKMNPC1RAB9ALMNAALDH1A1
SCHEMBL13564925 0.77 HDAC1 (0.42) PKMNPC1RAB9ALMNAALDH1A1
SCHEMBL13565776 0.77 HDAC1 (0.42) PKMNPC1RAB9ALMNAALDH1A1
SCHEMBL13565283 0.76 ALDH1A1 (0.50) PKMLMNAALDH1A1MAPTKMT2A
SCHEMBL13565821 0.76 ALDH1A1 (0.49) RAB9ALMNAALDH1A1MAPTKMT2A
SCHEMBL11935701 0.75 NPY5R (0.46) NPY5R
SCHEMBL13564864 0.74 EPHX1 (0.39) PKMLMNAALDH1A1MAPTKMT2A

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