SCHEMBL8872848

SCHEMBL8872848

Cc1cc2nc(O)[nH]c2c([N+](=O)[O-])c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 7/20 0.50
▸ GRIN3B O60391 7/20 0.50
▸ GRIN1 Q05586 7/20 0.50
▸ GRIN2A Q12879 7/20 0.50
▸ GRIN2B Q13224 7/20 0.50
▸ GRIN2C Q14957 7/20 0.50
▸ GRIN3A Q8TCU5 7/20 0.50
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP6 P55212 1/20 0.37

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
SCHEMBL8875780 0.76 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872838 0.76 MEN1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8871908 0.76 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872719 0.76 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11407056 0.72 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8871774 0.70 MEN1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6581227 0.70 FABP6 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872259 0.70 MEN1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11140774 0.68 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11821507 0.68 GPR35 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 — — US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 — — WO disclosed
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