SCHEMBL6997430

SCHEMBL6997430

O=C1Cc2ccc(Cl)cc2C(c2ccc([N+](=O)[O-])cc2)=NN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP2 O95551 4/20 0.43
MAPT P10636 5/20 0.42
PSD A5PKW4 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
ROCK2 O75116 1/20 0.40
NAMPT P43490 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6993715 0.89 GRIA2 (0.47) GRIA2MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL6993558 0.87 MAPT (0.41) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6994166 0.87 MAPT (0.50) GRIA2MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL7607849 0.83 CYP1A2 (0.61) GRIA2MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL7226645 0.83 CYP1A2 (0.55) GRIA2MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL7453036 0.83 ROCK2 (0.54) GRIA2MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL6625258 0.81 GRIA2 (0.61) GRIA2MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL7228098 0.80 CYP1A2 (0.62) GRIA2MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL6937958 0.79 MAPT (0.44) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6935668 0.77 MAPT (0.44) GRIA2MAPK1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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