SCHEMBL11539728

SCHEMBL11539728

CNC(=O)ON=C1CCOc2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
CTSL P07711 1/20 0.55
NPC1 O15118 5/20 0.41
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 5/20 0.38
PKM P14618 1/20 0.37
MAOB P27338 1/20 0.36
IDH1 O75874 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOTUM Q6P988 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11539725 1.00 NPSR1 (0.55) NPSR1CTSLNPC1MAPTTP53
SCHEMBL11540675 0.85 KDM4E (0.41) NPSR1CTSLMAPTALDH1A1KDM4E
SCHEMBL11540672 0.85 KDM4E (0.41) NPSR1CTSLMAPTALDH1A1KDM4E
SCHEMBL11538757 0.84 MAPT (0.49) NPSR1CTSLNPC1MAPTTP53
SCHEMBL11538753 0.84 MAPT (0.49) NPSR1CTSLNPC1MAPTTP53
SCHEMBL11540587 0.82 NOTUM (0.40) NPSR1CTSLNPC1MAPTALDH1A1
SCHEMBL11539391 0.82 NOTUM (0.40) NPSR1CTSLNPC1MAPTALDH1A1
SCHEMBL13114090 0.74 NPSR1 (0.58) NPSR1CTSLNPC1MAPTTP53
SCHEMBL7878503 0.74 CTSL (0.62) NPSR1CTSLNPC1MAPTALDH1A1
SCHEMBL29991312 0.74 CTSL (0.62) NPSR1CTSLNPC1MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169097-A GASTRIC ANTISECRETORY AGENTS MORTON-NORWICH PRODUCTS, INC. (US) 1979-09-25 US claimed
US-4169097-A GASTRIC ANTISECRETORY AGENTS MORTON-NORWICH PRODUCTS, INC. (US) 1979-09-25 US disclosed