SCHEMBL3365038

SCHEMBL3365038

COc1cc(OC)c2c(CN)ncc(Nc3nc4c(s3)CCCC4)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DPP4 P27487 2/20 0.43
PARP1 P09874 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 4/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.39
CFTR P13569 4/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 2/20 0.38

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
Hydrochloric Acid SCHEMBL3361686 0.99 MAPT (0.47) MAPTALDH1A1HPGDPOLBHTT
SCHEMBL7720652 0.91 MAPT (0.47) MAPTALDH1A1HPGDPOLBHTT
SCHEMBL8361297 0.89 MAPT (0.46) MAPTALDH1A1HPGDPOLBHTT
SCHEMBL7721777 0.82 MAPT (0.40) MAPTALDH1A1HPGDPOLBHTT
SCHEMBL3365032 0.79 DPP4 (0.43) MAPTALDH1A1HPGDPOLBHTT
SCHEMBL3365420 0.78 NPC1 (0.47) MAPTALDH1A1POLBHTTGAA
SCHEMBL3363380 0.77 DPP4 (0.49) MAPTALDH1A1HPGDGAAHSD17B10
Hydrochloric Acid SCHEMBL3365128 0.77 DPP4 (0.50) MAPTALDH1A1HPGDGAAHSD17B10
SCHEMBL3364729 0.74 DPP4 (0.50) MAPTALDH1A1POLBHTTGAA
SCHEMBL3361667 0.72 DPP4 (0.48) MAPTALDH1A1HTTGAADPP4

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-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US claimed