SCHEMBL8784305

SCHEMBL8784305

O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.73
GRIN2D O15399 1/20 0.62
GRIN3B O60391 1/20 0.62
GRIN1 Q05586 1/20 0.62
GRIN2A Q12879 1/20 0.62
GRIN2B Q13224 1/20 0.62
GRIN2C Q14957 1/20 0.62
GRIN3A Q8TCU5 1/20 0.62
FASN P49327 1/20 0.57
CYP1A2 P05177 2/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
BLM P54132 1/20 0.54
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL8783862 0.82 GRIN2D (0.64) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8784530 0.80 CYP1A2 (0.58) KMT2ACYP1A2POLBCYP3A4CYP2C9
SCHEMBL8789440 0.80 CYP1A2 (0.58) KMT2ACYP1A2POLBCYP3A4CYP2C9
SCHEMBL8784603 0.80 CYP1A2 (0.58) KMT2ACYP1A2POLBCYP3A4CYP2C9
SCHEMBL8783677 0.79 CYP1A2 (0.58) KMT2ACYP1A2POLBCYP3A4CYP2C9
SCHEMBL9030343 0.79 KMT2A (0.46) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8785262 0.78 GRIN2D (0.64) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8784543 0.78 GRIN2D (0.69) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4465168 0.78 FASN (0.68) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8784457 0.77 CYP1A2 (0.58) KMT2AFASNCYP1A2POLBCYP3A4

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-0481676-B1 Hydroxyquinolone derivatives MERCK SHARP & DOHME (GB) 1997-01-29 EP claimed
US-5348962-A Nervous system disorders; schizophrenia MERCK SHARPE & DOHME LTD. 1994-09-20 US claimed
EP-0481676-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-04-22 EP claimed
EP-0481676-B1 Hydroxyquinolone derivatives MERCK SHARP & DOHME (GB) 1997-01-29 EP disclosed
US-5559125-A NMDA AND AMPA RECEPTOR ANTAGONISTS, SCHIZOPHRENIA MERCK, SHARP & DOHME LIMITED (GB) 1996-09-24 US disclosed
US-5348962-A Nervous system disorders; schizophrenia MERCK SHARPE & DOHME LTD. 1994-09-20 US disclosed