SCHEMBL11538757

SCHEMBL11538757

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 2/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSL P07711 1/20 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
SCHEMBL11538753 1.00 MAPT (0.49) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL11543148 0.87 MAPT (0.47) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL11543151 0.87 MAPT (0.47) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL11539725 0.84 NPSR1 (0.55) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL11539728 0.84 NPSR1 (0.55) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL11540672 0.84 KDM4E (0.41) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL11540675 0.84 KDM4E (0.41) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL11540587 0.81 NOTUM (0.40) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL11539391 0.81 NOTUM (0.40) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8027812 0.81 KDM4E (0.43) MAPTKDM4EALDH1A1SMN1; SMN2NPC1

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