SCHEMBL8794897

SCHEMBL8794897

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MAPT P10636 6/20 0.58
CYP2C19 P33261 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
NFKB1 P19838 1/20 0.58
GRIA2 P42262 1/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 4/20 0.42
GAA P10253 1/20 0.42
HTT P42858 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
SCHEMBL8794644 0.91 ALDH1A1 (0.59) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL8793850 0.90 MAPT (0.57) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL7394553 0.88 MAPT (0.62) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL8793166 0.87 ALDH1A1 (0.61) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL8792742 0.87 ALDH1A1 (0.64) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL8794888 0.86 MEN1 (0.41) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL7546948 0.86 MEN1 (0.57) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL8794642 0.85 ALDH1A1 (0.59) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL8794682 0.85 MAPT (0.59) ALDH1A1MAPTCYP2C19KMT2AMEN1
SCHEMBL7398670 0.85 MAPT (0.66) ALDH1A1MAPTCYP2C19KMT2AMEN1

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