SCHEMBL7398670

SCHEMBL7398670

CC(=O)Nc1ccc(C2=NN=C(C)Cc3cc4c(cc32)OCO4)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
CYP1A2 P05177 3/20 0.66
ALDH1A1 P00352 2/20 0.66
CYP2C19 P33261 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
GRIA2 P42262 2/20 0.66
MEN1 O00255 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
NFKB1 P19838 1/20 0.66
KMT2A Q03164 1/20 0.66
HIF1A Q16665 1/20 0.66
LMNA P02545 1/20 0.65
KDM4E B2RXH2 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADRA2A P08913 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
SCHEMBL7398362 0.89 MAPT (0.64) MAPTCYP1A2ALDH1A1CYP2C19TDP1
SCHEMBL8792753 0.89 KMT2A (0.64) MAPTCYP1A2ALDH1A1CYP2C19TDP1
SCHEMBL8792138 0.88 KMT2A (0.62) MAPTCYP1A2ALDH1A1CYP2C19TDP1
SCHEMBL7394553 0.88 MAPT (0.62) MAPTCYP1A2ALDH1A1CYP2C19TDP1
SCHEMBL8792200 0.88 MEN1 (0.62) MAPTCYP1A2ALDH1A1CYP2C19TDP1
SCHEMBL8793166 0.87 ALDH1A1 (0.61) MAPTCYP1A2ALDH1A1CYP2C19TDP1
SCHEMBL8792742 0.87 ALDH1A1 (0.64) MAPTCYP1A2ALDH1A1CYP2C19TDP1
SCHEMBL8793025 0.87 MEN1 (0.61) MAPTCYP1A2ALDH1A1CYP2C19TDP1
SCHEMBL7399024 0.86 MAPT (0.60) MAPTCYP1A2ALDH1A1CYP2C19TDP1
SCHEMBL8794644 0.86 ALDH1A1 (0.59) MAPTCYP1A2ALDH1A1CYP2C19TDP1

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 10 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-0565557-A1 1-(4-ACYLAMINOPHENYL)-7,8-METHYLENEDIOXY-5H-2,3-BENZO-DIAZEPINE DERIVATIVES AND ACID ADDITION SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-10-20 EP disclosed
WO-1992011262-A1 1-(4-ACYLAMINOPHENYL)-7,8-METHYLENEDIOXY-5H-2,3-BENZO-DIAZEPINE DERIVATIVES AND ACID ADDITION SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET K.V. (HU) 1992-07-09 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