SCHEMBL6933786

SCHEMBL6933786

CC1=NN=C(c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 2/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 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
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPBWR1 P48145 2/20 0.39

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
SCHEMBL6935668 0.93 MAPT (0.44) PSDMAPTMEN1KMT2AMAPK1
SCHEMBL6935103 0.89 MAPT (0.44) PSDMAPTMEN1KMT2AMAPK1
SCHEMBL7609618 0.84 APP (0.43) PSDMAPTMEN1KMT2AMAPK1
SCHEMBL7498251 0.81 KMT2A (0.44) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL6937957 0.81 MAPT (0.44) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL10886471 0.80 APP (0.51) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7492463 0.79 MAPT (0.69) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL2001951 0.78 ALDH1A1 (0.39) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7606361 0.77 APP (0.43) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7002338 0.76 MAPT (0.41) PSDMAPTMEN1KMT2AMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802195-B1 Substituted 2,3-benzodiazepine derivatives, process and intermediates for their preparation and pharmaceutical compositions comprising them as well as their use EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-11-19 EP disclosed
US-5807851-A MUSCLE RELAXANTS; NERVOUS SYSTEM DISORDERS EGIS GYOGYSZERGYAR RT. (HU) 1998-09-15 US disclosed
EP-0802195-A2 Substituted 2,3-benzodiazepine derivatives, process and intermediates for their preparation and pharmaceutical compositions comprising them as well as their use EGIS GYOGYSZERGYAR RT. (HU) 1997-10-22 EP disclosed