SCHEMBL4698683

SCHEMBL4698683

Cc1ccccc1-n1nc[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 2/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
GSK3B P49841 1/20 0.39
MAPK14 Q16539 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
HIF1A Q16665 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
OPRM1 P35372 1/20 0.38
NPBWR1 P48145 1/20 0.38

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
SCHEMBL4700339 0.80 MGLL (0.44) MGLLALDH1A1ALOX5MAPTGSK3B
SCHEMBL5905902 0.79 MEN1 (0.43) MGLLKMT2AMEN1MAPK14HCAR1
SCHEMBL5906118 0.75 MAPT (0.48) ALDH1A1LMNAL3MBTL1KMT2AMAPT
SCHEMBL461726 0.73 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHTTGSK3B
SCHEMBL9052724 0.71 KMT2A (0.43) MGLLALDH1A1ALOX5TSHRKMT2A
SCHEMBL5906376 0.71 ALDH1A1 (0.44) MGLLALDH1A1LMNAALOX5TSHR
SCHEMBL30948485 0.69 HTT (0.72) ALDH1A1LMNAL3MBTL1KMT2AMAPT
SCHEMBL20876908 0.69 MGLL (0.44) MGLLALDH1A1LMNATSHRKMT2A
SCHEMBL29594292 0.69 MGLL (0.44) MGLLALDH1A1LMNATSHRKMT2A
SCHEMBL8775840 0.69 NPC1 (0.54) MGLLALDH1A1LMNAL3MBTL1ALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974587-B1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEM IND CO (JP) 2008-04-23 EP disclosed
US-6077814-A LOW PHYTOTOXICITY TO THE CROP PLANTS; SELECTIVE ACTIVITY HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-20 US disclosed
EP-0974587-A1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2000-01-26 EP disclosed