SCHEMBL8794888

SCHEMBL8794888

CC1=NN=C(c2ccc(NC(=O)CCCC(=O)O)cc2)c2cc3c(cc2C1)OOC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIA2 P42262 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL8795298 0.86 ROCK2 (0.43) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL8794191 0.86 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL8794897 0.86 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL8793040 0.85 AAK1 (0.42) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL7399020 0.83 KMT2A (0.42) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL8794644 0.77 ALDH1A1 (0.59) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL8793850 0.76 MAPT (0.57) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL350464 0.76 GRIA2 (0.68) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL7394553 0.74 MAPT (0.62) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL9223260 0.74 MAPT (0.47) MEN1KMT2AALDH1A1MAPTCYP1A2

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