SCHEMBL6991386

SCHEMBL6991386

CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2CC1C)OCO3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.60
GRIA2 P42262 1/20 0.60
TERT O14746 7/20 0.58
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 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
SCHEMBL6615773 1.00 GRIA1 (0.60) GRIA1GRIA2TERTMEN1KMT2A
SCHEMBL5429840 0.92 GRIA1 (0.60) GRIA1GRIA2TERTMEN1KMT2A
SCHEMBL5433568 0.90 GRIA1 (0.58) GRIA1GRIA2TERTMEN1KMT2A
SCHEMBL6987263 0.90 GRIA1 (0.76) GRIA1GRIA2TERTMEN1KMT2A
SCHEMBL8793610 0.90 GRIA1 (0.76) GRIA1GRIA2TERTMEN1KMT2A
SCHEMBL8793527 0.90 GRIA1 (0.58) GRIA1GRIA2TERTMEN1KMT2A
SCHEMBL8794839 0.90 GRIA2 (0.58) GRIA1GRIA2TERTMEN1KMT2A
SCHEMBL8793644 0.90 GRIA1 (0.58) GRIA1GRIA2TERTMEN1KMT2A
SCHEMBL8794874 0.89 GRIA1 (0.57) GRIA1GRIA2TERTMEN1KMT2A
SCHEMBL8793770 0.89 GRIA1 (0.57) GRIA1GRIA2TERTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521174-A ANTISPASMODIC AGENTS GYOGYSZERKUTATO INTEZET KV. (HU) 1996-05-28 US claimed
EP-0699677-B1 Stereoselective process for producing dihydro-2,3-benzodiazepine derivatives LILLY CO ELI (US) 2003-01-29 EP disclosed
US-6160133-A Synthesis of (S)-α-methyl-1,3-benzodioxole-5-ethanol and derivatives ELI LILLY AND COMPANY (US) 2000-12-12 US disclosed
US-5986114-A MUSCLE RELAXANTS, NERVOUS SYSTEM DISORDERS OR ANTICONVULSANTS ELI LILLY AND COMPANY (US) 1999-11-16 US disclosed
EP-0492485-B1 N-Acyl-2,3-benzodiazepine derivatives, pharmaceutical compositions containing them and process for preparing same GYOGYSZERKUTATO INTEZET (HU) 1997-11-19 EP disclosed
US-5665878-A Stereoselective process for producing dihydro-2,3-benzodiazepine derivatives ELI LILLY AND COMPANY (US) 1997-09-09 US disclosed
US-5639751-A N-acyl-2,3-benzodiazepine derivatives for treating acute and chronic neurodegenerative disorders CYOGYSZERKUTATO INTEZET KFT (HU) 1997-06-17 US disclosed
EP-0773931-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1997-05-21 EP disclosed
US-5604223-A TREATING EPILEPSY, NERVOUS SYSTEM DISORDER GYOGYSZERKUTATO INTEZET KFT. (HU) 1997-02-18 US disclosed
US-5536832-A CENTRAL NERVOUS SYSTEM DISORDERS GYOGYSZERKUTATO INTEZET KFT (HU) 1996-07-16 US disclosed
US-5521174-A ANTISPASMODIC AGENTS GYOGYSZERKUTATO INTEZET KV. (HU) 1996-05-28 US disclosed
US-5519019-A NERVOUS SYSTEM DISORDERS AND MUSCLE RELAXANTS GYOGYSZERKUTATO INTEZET (HU) 1996-05-21 US disclosed
EP-0699677-A1 Stereoselective process for producing dihydro-2,3-benzodiazepine derivatives ELI LILLY AND COMPANY (US) 1996-03-06 EP disclosed
WO-1996002506-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1996-02-01 WO disclosed
US-5459137-A Muscle relaxants, anticonvulsants, neuroprotective agents GYOGYSZERKU-TATO INTEZET KFT (HU) 1995-10-17 US disclosed
WO-1995001357-A1 OPTICALLY ACTIVE 1-(4-NITROPHENYL)-4-METHYL-7,8-METHYLENEDIOXY-3,4-DIHYDRO-5H-2,3-BENZODIAZEPINE AND PROCESS FOR PREPARING SAME Gyógyszerkutató Intézet Kft. (HU) 1995-01-12 WO disclosed
EP-0492485-A1 N-Acyl-2,3-benzodiazepine derivatives, pharmaceutical compositions containing them and process for preparing same GYOGYSZERKUTATO INTEZET (HU) 1992-07-01 EP disclosed