SCHEMBL6624967

SCHEMBL6624967

Nc1ccc(C2=NNC(=O)Cc3cc4c(cc32)OCO4)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 6/20 0.86
CYP1A2 P05177 3/20 0.63
CYP3A4 P08684 3/20 0.63
CYP2C9 P11712 3/20 0.63
CYP2C19 P33261 3/20 0.63
MAPK1 P28482 2/20 0.63
MEN1 O00255 2/20 0.59
CYP2D6 P10635 2/20 0.59
MAPT P10636 2/20 0.59
NFKB1 P19838 2/20 0.59
KMT2A Q03164 2/20 0.59
HIF1A Q16665 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 2/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
KDM4E B2RXH2 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59

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
SCHEMBL30259944 1.00 GRIA2 (0.86) GRIA2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6624904 0.88 GRIA2 (0.67) GRIA2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6627854 0.88 GRIA2 (0.67) GRIA2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6625735 0.88 GRIA2 (0.67) GRIA2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6624086 0.87 GRIA2 (0.66) GRIA2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6625096 0.87 GRIA2 (0.66) GRIA2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6625251 0.87 GRIA2 (0.66) GRIA2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6625261 0.86 GRIA2 (0.87) GRIA2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6625363 0.85 GRIA2 (0.68) GRIA2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6625060 0.84 GRIA2 (0.63) GRIA2CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021418-B1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2004-05-19 EP claimed
US-5891871-A 2-AMINO-3-(3-HYDROXY-5-METHYLISOXAZ-4-YL)PROPIONIC ACID RECEPTOR ANTAGONISTS; TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA OR SURGERY; OR TREATING NEURODEGENERATIVE DISEASES. COCENSYS, INC. (US) 1999-04-06 US claimed
EP-1021418-B1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2004-05-19 EP disclosed
EP-1021418-A4 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF COCENSYS INC (US) 2001-06-13 EP disclosed
EP-1021418-A1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF Cocensys, Inc. (US) 2000-07-26 EP disclosed
US-5891871-A 2-AMINO-3-(3-HYDROXY-5-METHYLISOXAZ-4-YL)PROPIONIC ACID RECEPTOR ANTAGONISTS; TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA OR SURGERY; OR TREATING NEURODEGENERATIVE DISEASES. COCENSYS, INC. (US) 1999-04-06 US disclosed
WO-1997034878-A1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF COCENSYS, INC. (US) 1997-09-25 WO disclosed