SCHEMBL13985253

SCHEMBL13985253

CCOC(=O)Cc1nnc(-c2cc(Cl)cc(Br)c2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
CALCRL Q16602 1/20 0.42
MAPT P10636 7/20 0.41
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
NOTUM Q6P988 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
APLNR P35414 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 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
SCHEMBL13985283 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CALCRLMAPTPOLBL3MBTL1
SCHEMBL4758251 0.82 CALCRL (0.46) SMN1; SMN2CALCRLMAPTL3MBTL1NOTUM
SCHEMBL15919093 0.81 SMN1; SMN2 (0.76) SMN1; SMN2MAPTPOLBL3MBTL1HTT
SCHEMBL24987981 0.81 SMN1; SMN2 (0.76) SMN1; SMN2MAPTPOLBL3MBTL1KMT2A
SCHEMBL13985036 0.79 SMN1; SMN2 (0.53) SMN1; SMN2MAPTPOLBL3MBTL1HTT
SCHEMBL13985180 0.79 SMN1; SMN2 (0.53) SMN1; SMN2CALCRLMAPTPOLBL3MBTL1
SCHEMBL13985082 0.79 SMN1; SMN2 (0.53) SMN1; SMN2CALCRLMAPTPOLBKMT2A
SCHEMBL23500811 0.78 SMN1; SMN2 (0.66) SMN1; SMN2MAPTPOLBNOTUMKMT2A
SCHEMBL28987838 0.76 SMN1; SMN2 (0.80) SMN1; SMN2MAPTPOLBL3MBTL1HTT
SCHEMBL28987855 0.76 SMN1; SMN2 (1.00) SMN1; SMN2MAPTL3MBTL1HTTNOTUM

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
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed