SCHEMBL2728047

SCHEMBL2728047

Cc1c(C(N)=O)cc(-c2ncco2)c(C)c1-c1cscn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.36
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CHEK2 O96017 1/20 0.34
POLB P06746 2/20 0.34
EEF2K O00418 1/20 0.32
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL2725910 0.84 CFTR (0.43) CFTRKDM4ETUBB4ATUBBTUBA3C
SCHEMBL2724737 0.81 CFTR (0.39) CFTREEF2KTUBB4ATUBBTUBA3C
SCHEMBL2726268 0.78 CFTR (0.37) CFTRCHEK2EEF2KRAB9ATUBB4A
SCHEMBL3353479 0.76 CFTR (0.43) CFTRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1932923 0.71 CHEK2 (0.38) KDM4AKDM4BKDM5CKDM5BCHEK2
SCHEMBL3347772 0.70 GLRA3 (0.44) CFTRKDM4EPIK3CB
SCHEMBL2726900 0.70 CFTR (0.34) CFTRCHEK2EEF2KRAB9AIRAK4
SCHEMBL1429349 0.68 KDM4A (0.39) KDM4AKDM4BKDM5CKDM5BKDM4E
SCHEMBL2728043 0.67 KDM4B (0.39) KDM4AKDM4BKDM5CKDM5BPOLB
SCHEMBL2726265 0.66 TGFBR1 (0.38) CFTRRAB9AALDH1A1LMNASMN1; SMN2

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-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed