SCHEMBL9202073

SCHEMBL9202073

COc1ccc2c(ccn2-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9204529 0.86 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9208399 0.82 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9200161 0.80 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9204683 0.75 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8784597 0.72 CYP1A2 (0.74) CYP1A2POLBCYP3A4CYP2C9TSHR
SCHEMBL9203205 0.72 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8783422 0.71 KDM4E (0.77) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9206035 0.71 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8784156 0.70 CYP1A2 (0.56) CYP1A2POLBCYP3A4CYP2C9TSHR
SCHEMBL9202917 0.70 GRIN2D (0.55) 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 5 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
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