SCHEMBL8795316

SCHEMBL8795316

CC1=NN=C(c2ccc(NC=O)cc2)c2cc3c(cc2C1)OCO3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 4/20 0.67
MEN1 O00255 3/20 0.67
MAPT P10636 3/20 0.67
KMT2A Q03164 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C9 P11712 2/20 0.67
NFKB1 P19838 2/20 0.67
CYP2C19 P33261 2/20 0.67
HIF1A Q16665 2/20 0.67
ALDH1A1 P00352 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
LMNA P02545 2/20 0.66
ALOX15 P16050 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 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
SCHEMBL7398670 0.83 MAPT (0.66) GRIA2MEN1MAPTKMT2ACYP1A2
SCHEMBL7398362 0.81 MAPT (0.64) GRIA2MEN1MAPTKMT2ACYP1A2
SCHEMBL8792753 0.81 KMT2A (0.64) GRIA2MEN1MAPTKMT2ACYP1A2
Gyki-52466 SCHEMBL29357520 0.81 GRIA2 (1.00) GRIA2MEN1MAPTKMT2ACYP1A2
Gyki-52466 SCHEMBL194854 0.81 GRIA2 (1.00) GRIA2MEN1MAPTKMT2ACYP1A2
SCHEMBL8792200 0.81 MEN1 (0.62) GRIA2MEN1MAPTKMT2ACYP1A2
SCHEMBL8792138 0.81 KMT2A (0.62) GRIA2MEN1MAPTKMT2ACYP1A2
SCHEMBL7394553 0.81 MAPT (0.62) GRIA2MEN1MAPTKMT2ACYP1A2
SCHEMBL8792742 0.80 ALDH1A1 (0.64) GRIA2MEN1MAPTKMT2ACYP1A2
SCHEMBL8793025 0.80 MEN1 (0.61) GRIA2MEN1MAPTKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5639751-A N-acyl-2,3-benzodiazepine derivatives for treating acute and chronic neurodegenerative disorders CYOGYSZERKUTATO INTEZET KFT (HU) 1997-06-17 US 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
US-5459137-A Muscle relaxants, anticonvulsants, neuroprotective agents GYOGYSZERKU-TATO INTEZET KFT (HU) 1995-10-17 US 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