SCHEMBL6600012

SCHEMBL6600012

COc1nn(-c2ccc(NCc3ccccc3C#N)cc2)c(=O)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.51
FAAH O00519 4/20 0.51
ABHD16A O95870 2/20 0.49
LPL P06858 1/20 0.45
LIPC P11150 1/20 0.45
LIPE Q05469 1/20 0.45
IDH1 O75874 2/20 0.40
BACE1 P56817 1/20 0.40
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL6601929 0.76 ABHD16A (0.50) MGLLFAAHABHD16ALPLLIPC
SCHEMBL6599090 0.76 ABHD16A (0.62) MGLLFAAHABHD16ALPLLIPC
Trifluoroacetic Acid SCHEMBL6601568 0.74 LPL (0.47) MGLLFAAHABHD16ALPLLIPC
SCHEMBL6603229 0.73 ABHD16A (0.52) MGLLFAAHABHD16ALPLLIPC
SCHEMBL28661673 0.73 BACE1 (0.51) IDH1BACE1KDM4EALDH1A1GAA
SCHEMBL11620781 0.72 FAAH (0.78) MGLLFAAHABHD16ALPLLIPC
SCHEMBL6602421 0.71 MGLL (0.54) MGLLFAAHABHD16ALPLLIPC
SCHEMBL6599576 0.70 ABHD16A (0.54) MGLLFAAHABHD16ALPLLIPC
SCHEMBL7043150 0.70 MGLL (0.63) MGLLFAAHABHD16ALIPCLIPE
SCHEMBL6551854 0.70 FAAH (0.74) MGLLFAAHABHD16ALPLLIPC

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
EP-1263745-B1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE AVENTIS PHARMA GMBH (DE) 2004-05-19 EP disclosed