SCHEMBL4757789

SCHEMBL4757789

Cc1nc(-c2cc(Cl)cc(C(=O)NN)c2)cn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 4/20 0.42
KAT5 Q92993 3/20 0.41
KAT7 O95251 1/20 0.41
MAPK14 Q16539 1/20 0.39
SMO Q99835 1/20 0.39
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 7/20 0.38
GAA P10253 7/20 0.38
POLB P06746 4/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 2/20 0.34
BLM P54132 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL4755015 0.83 KAT6A (0.39) KAT6AKAT5KAT7MAPK14SMO
SCHEMBL4755065 0.81 KAT6A (0.39) KAT6AKAT5KAT7MAPK14SMO
SCHEMBL4756960 0.74 DYRK1A (0.48) KAT5KAT7KDM4EALDH1A1GAA
SCHEMBL21638091 0.70 KDM4E (0.61) KDM4EALDH1A1GAAPOLBLMNA
SCHEMBL2635338 0.70 KDM4E (0.61) KDM4EALDH1A1GAAPOLBLMNA
SCHEMBL4757912 0.69 RXRA (0.38) KAT6AKAT5KAT7MAPTL3MBTL1
SCHEMBL4756909 0.69 RXRA (0.37) KAT6AKAT5KAT7SMN1; SMN2
SCHEMBL15262407 0.68 KAT6A (0.37) KAT6AKAT5KAT7MAPK14SMO
SCHEMBL28500403 0.68 P2RX7 (0.47) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL3440306 0.67 PLK1 (0.49) MAPK14SMOKDM4EMAPTNPC1

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