SCHEMBL4755065

SCHEMBL4755065

CCOC(=O)CC(=O)NNC(=O)c1cc(Cl)cc(-c2cn(C)c(C)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.39
KAT5 Q92993 2/20 0.39
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
KAT7 O95251 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
ENPP2 Q13822 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 2/20 0.34
TSHR P16473 2/20 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
SCHEMBL4757789 0.81 KAT6A (0.42) KAT6AKAT5MAPK14SMOKAT7
SCHEMBL4755015 0.77 KAT6A (0.39) KAT6AKAT5MAPK14SMOKAT7
SCHEMBL4758284 0.75 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AHPGDGAA
SCHEMBL13985036 0.72 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL4757779 0.72 HDAC3 (0.44) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL4755128 0.69 MAPK14 (0.44) MAPK14SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23519742 0.67 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL4758264 0.67 WDR91 (0.40) SMN1; SMN2MEN1KMT2AHPGDKDM4E
SCHEMBL27158903 0.63 L3MBTL1 (0.67) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL2638020 0.63 MEN1 (0.59) SMN1; SMN2MEN1KMT2AHPGDALDH1A1

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
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
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