SCHEMBL7394553

SCHEMBL7394553

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
KMT2A Q03164 2/20 0.62
GRIA2 P42262 2/20 0.62
MEN1 O00255 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP2C19 P33261 1/20 0.62
HIF1A Q16665 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 2/20 0.61
RAB9A P51151 1/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
GAA P10253 3/20 0.44
POLB P06746 1/20 0.44
ADORA2A P29274 1/20 0.43

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
SCHEMBL8794644 0.91 ALDH1A1 (0.59) MAPTALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL8793166 0.91 ALDH1A1 (0.61) MAPTALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL8792742 0.91 ALDH1A1 (0.64) MAPTALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL8793850 0.89 MAPT (0.57) MAPTALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL8794138 0.89 ALDH1A1 (0.57) MAPTALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL8794642 0.89 ALDH1A1 (0.59) MAPTALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL8794682 0.89 MAPT (0.59) MAPTALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL7398670 0.88 MAPT (0.66) MAPTALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL8794897 0.88 ALDH1A1 (0.58) MAPTALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL8793045 0.88 ALDH1A1 (0.58) MAPTALDH1A1CYP1A2CYP3A4KMT2A

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 15 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
EP-0485636-B1 INDOLE DERIVATIVE TORAY INDUSTRIES (JP) 1997-03-12 EP disclosed
US-5604223-A TREATING EPILEPSY, NERVOUS SYSTEM DISORDER GYOGYSZERKUTATO INTEZET KFT. (HU) 1997-02-18 US disclosed
EP-0735026-A1 Method for the production of isoquinoline derivatives and their use as intermediates in the preparation of indole derivatives TORAY INDUSTRIES, INC. (JP) 1996-10-02 EP disclosed
US-5539119-A MULTISTAGE FORMATION BY OXIDATION, REDUCING A CARBAMATE TO FORM AN ENAMINE, FORMING AN OXIDE TORAY INDUSTRIES, INC. (JP) 1996-07-23 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
US-5244904-A Immunorepressant, analgesic TORAY INDUSTRIES, INC. (JP) 1993-09-14 US 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
EP-0485636-A1 INDOLE DERIVATIVE TORAY INDUSTRIES, INC. (JP) 1992-05-20 EP disclosed