SCHEMBL8792138

SCHEMBL8792138

CC1=NN=C(c2ccc(NC(=O)Nc3ccccc3)cc2)c2cc3c(cc2C1)OCO3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MAPT P10636 4/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 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
GRIA2 P42262 1/20 0.62
HIF1A Q16665 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 1/20 0.61
CNR1 P21554 1/20 0.44
RAB9A P51151 10/20 0.44
NPC1 O15118 9/20 0.44
CCKBR P32239 1/20 0.43
PAX8 Q06710 1/20 0.42
KLF5 Q13887 1/20 0.42

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
SCHEMBL8792753 0.91 KMT2A (0.64) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL7399024 0.90 MAPT (0.60) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL7398670 0.88 MAPT (0.66) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL7546948 0.87 MEN1 (0.57) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL7398362 0.86 MAPT (0.64) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL7394553 0.85 MAPT (0.62) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL8792200 0.85 MEN1 (0.62) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL8792742 0.84 ALDH1A1 (0.64) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL8793025 0.84 MEN1 (0.61) KMT2AMAPTMEN1ALDH1A1CYP1A2
SCHEMBL8793166 0.84 ALDH1A1 (0.61) KMT2AMAPTMEN1ALDH1A1CYP1A2

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