SCHEMBL9205223

SCHEMBL9205223

Cc1cc(C)n(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL12686227 0.81 ALDH1A1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12686183 0.76 PRKAG1 (0.60) MEN1ALDH1A1KMT2A
SCHEMBL9199502 0.75 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9206035 0.74 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9202917 0.73 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9205707 0.72 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9206552 0.72 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9198296 0.72 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9207784 0.71 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9203205 0.70 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489458-B1 Hydroxyquinolone derivatives MERCK SHARP & DOHME (GB) 1995-06-07 EP claimed
US-5252584-A Antagonist for treating nervous system disorders MERCK SHARP & DOHME LIMITED (GB) 1993-10-12 US claimed
EP-0489458-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-06-10 EP claimed
EP-0489458-B1 Hydroxyquinolone derivatives MERCK SHARP & DOHME (GB) 1995-06-07 EP disclosed
US-5252584-A Antagonist for treating nervous system disorders MERCK SHARP & DOHME LIMITED (GB) 1993-10-12 US disclosed
EP-0489458-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-06-10 EP disclosed