SCHEMBL6467515

SCHEMBL6467515

COC(=O)c1cc(C(=O)O)cc(-c2ncco2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
KDM5C P41229 3/20 0.49
KDM4C Q9H3R0 3/20 0.49
KDM6B O15054 2/20 0.49
KDM2A Q9Y2K7 2/20 0.49
KDM3A Q9Y4C1 2/20 0.49
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
CFTR P13569 1/20 0.40
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM5B Q9UGL1 3/20 0.36
KDM4A O75164 2/20 0.36
TET3 O43151 1/20 0.36
BBOX1 O75936 1/20 0.36
MAPT P10636 1/20 0.36
KDM5A P29375 1/20 0.36
ASPH Q12797 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
Trifluoroacetic Acid SCHEMBL2727658 0.93 CFTR (0.43) KDM4EKDM5CKDM4CKDM6BKDM2A
SCHEMBL2727496 0.85 GLRA3 (0.46) KDM4EKDM5CKDM4CKDM6BKDM2A
SCHEMBL2727661 0.82 GLRA3 (0.43) KDM4EKDM5CKDM4CKDM6BKDM2A
SCHEMBL475508 0.77 GLRA3 (0.70) KDM4EKDM5CKDM4CKDM6BKDM2A
SCHEMBL30163064 0.76 KDM4E (0.63) KDM4EKDM5CKDM4CKDM6BKDM2A
SCHEMBL29218201 0.76 KDM4E (0.63) KDM4EKDM5CKDM4CKDM6BKDM2A
SCHEMBL21144538 0.76 TSHR (0.61) KDM4EKDM5CKDM4CKDM6BKDM2A
SCHEMBL29907727 0.73 GLRA3 (0.45) KDM4EKDM5CKDM4CKDM6BKDM2A
SCHEMBL12248226 0.73 GLRA3 (0.45) KDM4EKDM5CKDM4CKDM6BKDM2A
SCHEMBL11956572 0.73 TSHR (0.69) KDM4EKDM5CKDM4CKDM6BKDM2A

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