SCHEMBL9855792

SCHEMBL9855792

Cc1ccc(C(=O)O)cc1C1=NCCN1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.60
GRIK1 P39086 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
FDPS P14324 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
SCHEMBL11517317 0.75 NISCH (0.67) NISCH
SCHEMBL14496851 0.74 NISCH (0.62) NISCH
Hydrochloric Acid SCHEMBL8203143 0.74 NISCH (0.65) NISCH
SCHEMBL9675597 0.73 NISCH (0.60) NISCH
Hydrochloric Acid SCHEMBL3900407 0.73 NISCH (0.61) NISCH
Hydrochloric Acid SCHEMBL8204973 0.72 NISCH (0.64) NISCHFDPS
Hydrochloric Acid SCHEMBL6730399 0.72 NISCH (0.62) NISCHFDPS
SCHEMBL7279147 0.70 P4HA1 (0.58) NISCH
SCHEMBL11806954 0.69 NISCH (0.53) NISCH
SCHEMBL14252435 0.69 GRIK1 (0.50) GRIK1GRIA1GRIA2GRIA3GRIA4

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 2 patents. 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
EP-0158000-A1 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) 1985-10-16 EP disclosed