SCHEMBL8873768

SCHEMBL8873768

Cc1cc2[nH]c(=O)c(-c3ccccc3)nc2c([N+](=O)[O-])c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.51
▸ GRIN3B O60391 2/20 0.51
▸ GRIN1 Q05586 2/20 0.51
▸ GRIN2A Q12879 2/20 0.51
▸ GRIN2B Q13224 2/20 0.51
▸ GRIN2C Q14957 2/20 0.51
▸ GRIN3A Q8TCU5 2/20 0.51
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ DCTPP1 Q9H773 1/20 0.44
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8873245 0.82 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873651 0.81 NPC1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872860 0.81 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872619 0.81 NPC1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8874107 0.75 RAB9A (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872838 0.73 MEN1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873228 0.73 MEN1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14844694 0.72 KDM4E (0.59) KDM4ERAB9ANPC1POLBALDH1A1
SCHEMBL29101810 0.72 RAB9A (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30637054 0.69 RAB9A (0.69) KMT2AMEN1KDM4ERAB9ANPC1

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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