SCHEMBL9855189

SCHEMBL9855189

Cc1cccc(N2C=NCC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
HSP90AA1 P07900 1/20 0.46
MGLL Q99685 1/20 0.46
MAPT P10636 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX5 P09917 3/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
ADRB1 P08588 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9855444 0.79 F2 (0.42) HSP90AA1MGLLMAPTHSD17B10ALOX5
SCHEMBL14931831 0.78 HPGD (0.40) MGLLMAPTMEN1GAAKMT2A
SCHEMBL9319646 0.72 L3MBTL1 (0.51) L3MBTL1HSP90AA1MGLLMAPTHSD17B10
SCHEMBL7841985 0.71 MAPT (0.45) L3MBTL1MAPTHSD17B10MEN1GAA
SCHEMBL10551516 0.70 L3MBTL1 (0.53) L3MBTL1HSP90AA1MGLLMAPTHSD17B10
SCHEMBL259385 0.69 L3MBTL1 (1.00) L3MBTL1HSP90AA1MGLLMAPTHSD17B10
SCHEMBL28424953 0.68 MGLL (0.61) L3MBTL1HSP90AA1MGLLMAPTHSD17B10
SCHEMBL29702887 0.67 L3MBTL1 (0.68) L3MBTL1HSP90AA1MGLLMAPTHSD17B10
SCHEMBL30475446 0.67 L3MBTL1 (0.86) L3MBTL1HSP90AA1MGLLMAPTHSD17B10
SCHEMBL8121918 0.67 L3MBTL1 (0.68) L3MBTL1HSP90AA1MGLLMAPTHSD17B10

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-0158000-B1 REGIO AND OPTICAL ISOMERS OF IMIDAZOLINYL TOLUIC ACIDS, ESTERS AND SALTS, THEIR METHOD OF PREPARATION AND THEIR USE AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1991-06-19 EP disclosed