SCHEMBL13985283

SCHEMBL13985283

CCOC(=O)Cc1nnc(-c2cc(Cl)cc(-c3cncnc3)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
NOTUM Q6P988 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 6/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
APLNR P35414 1/20 0.37
USP2 O75604 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CALCRL Q16602 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4757749 0.83 CALCRL (0.38) SMN1; SMN2NOTUMMEN1KMT2AMAPT
SCHEMBL13985253 0.83 SMN1; SMN2 (0.60) SMN1; SMN2NOTUMMEN1KMT2AGAA
SCHEMBL13985036 0.79 SMN1; SMN2 (0.53) SMN1; SMN2NOTUMMEN1KMT2AGAA
SCHEMBL24987981 0.78 SMN1; SMN2 (0.76) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL23500811 0.77 SMN1; SMN2 (0.66) SMN1; SMN2NOTUMMEN1KMT2AGAA
SCHEMBL13985082 0.77 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL13985180 0.77 SMN1; SMN2 (0.53) SMN1; SMN2GAAMAPTHSD17B10TSHR
SCHEMBL28987840 0.75 SMN1; SMN2 (0.74) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL29712398 0.75 SMN1; SMN2 (0.74) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL28987838 0.73 SMN1; SMN2 (0.80) SMN1; SMN2MEN1KMT2AGAAMAPT

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