SCHEMBL8796596

SCHEMBL8796596

CCCCCNc1ccc(C2=NNC(C)Cc3cc4c(cc32)OCO4)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
CYP1A2 P05177 3/20 0.64
CYP3A4 P08684 3/20 0.64
CYP2D6 P10635 3/20 0.64
MAPT P10636 3/20 0.64
MAPK1 P28482 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KDM4E B2RXH2 2/20 0.64
CYP2C9 P11712 2/20 0.64
NFKB1 P19838 2/20 0.64
CYP2C19 P33261 2/20 0.64
HIF1A Q16665 2/20 0.64
LMNA P02545 2/20 0.64
ALOX15 P16050 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
GRIA2 P42262 2/20 0.38
GRIA1 P42261 1/20 0.38
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL7399903 0.79 MAPT (0.68) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL29389227 0.79 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6995439 0.79 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10552818 0.78 MEN1 (0.98) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL7396145 0.77 MEN1 (0.85) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL7399357 0.77 MAPT (0.64) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL7400196 0.75 MAPT (0.62) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL7392666 0.75 MEN1 (0.59) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5416306 0.74 MAPT (0.71) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5416313 0.74 MAPT (0.71) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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-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