SCHEMBL6935668

SCHEMBL6935668

CC1=NN=C(c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRIA2 P42262 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
PSD A5PKW4 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NLRP3 Q96P20 1/20 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
SCHEMBL6933786 0.93 PSD (0.44) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL6935103 0.89 MAPT (0.44) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL6937957 0.85 MAPT (0.44) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7000840 0.85 MAPT (0.41) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL2001951 0.85 ALDH1A1 (0.39) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7498251 0.84 KMT2A (0.44) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7609618 0.84 APP (0.43) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7002338 0.83 MAPT (0.41) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7645771 0.82 MAPT (0.43) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7646167 0.82 MAPT (0.43) MAPTMEN1KMT2AALDH1A1TDP1

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 7 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
EP-1001956-B1 2,3-BENZODIAZEPINE DERIVATIVES GYOGYSZERKUTATO INTEZET (HU) 2003-05-07 EP disclosed
US-6482819-B1 2,3-benzodiazepine derivatives GYOGYSZERKUTATO INTEZET KFT. (HU) 2002-11-19 US disclosed
EP-1001956-A1 NEW 2,3-BENZODIAZEPINE DERIVATIVES GYOGYSZERKUTATO INTEZET KFT. (HU) 2000-05-24 EP disclosed
WO-1999006408-A1 NEW 2,3-BENZODIAZEPINE DERIVATIVES Gyógyszerkutató Intézet Kft. (HU) 1999-02-11 WO 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