SCHEMBL9646339

SCHEMBL9646339

O=c1c2ccc(Cl)cc2[nH]n1Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
ACHE P22303 1/20 0.47

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
SCHEMBL9646320 0.88 ALOX5 (0.51) ALOX5MAPK8MAPK9
SCHEMBL9645947 0.84 ALOX5 (0.50) ALOX5
SCHEMBL9645952 0.82 ALOX5 (0.70) ALOX5
SCHEMBL30512968 0.82 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9647813 0.80 ADAM17 (0.55) ALOX5MAPK8
SCHEMBL25409456 0.79 KMT2A (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25410748 0.77 CA9 (0.49)
SCHEMBL25410120 0.76 CA9 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18149341 0.74 ALOX5 (0.56) ALOX5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24031218 0.71 ACHE (0.64) ACHE

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
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed