SCHEMBL4755015

SCHEMBL4755015

COC(=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
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KAT5 Q92993 2/20 0.38
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
KAT7 O95251 1/20 0.38
CNR2 P34972 1/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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 0.83 KAT6A (0.42) KAT6AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4755065 0.77 KAT6A (0.39) KAT6AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4756995 0.74 DYRK1A (0.47) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL26077234 0.73 KMT2A (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL8440378 0.71 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL588343 0.71 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL67540 0.71 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL25262781 0.70 ATAD2 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4756971 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4542026 0.70 AXL (0.51) KAT6AALDH1A1KDM4EMAPTHTT

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