SCHEMBL8794644

SCHEMBL8794644

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
MAPT P10636 8/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
MEN1 O00255 1/20 0.59
CYP3A4 P08684 1/20 0.59
NFKB1 P19838 1/20 0.59
GRIA2 P42262 1/20 0.59
HIF1A Q16665 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
AAK1 Q2M2I8 1/20 0.46

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
SCHEMBL8793850 0.96 MAPT (0.57) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL8794897 0.91 ALDH1A1 (0.58) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL7394553 0.91 MAPT (0.62) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL8793166 0.88 ALDH1A1 (0.61) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL8792742 0.88 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL8794138 0.87 ALDH1A1 (0.57) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL8794682 0.86 MAPT (0.59) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL8794642 0.86 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL7398670 0.86 MAPT (0.66) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL8793045 0.85 ALDH1A1 (0.58) ALDH1A1MAPTKMT2ACYP1A2CYP2D6

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