SCHEMBL6994166

SCHEMBL6994166

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 1/20 0.47
GRIA2 P42262 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP2 O95551 5/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 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
SCHEMBL7001539 0.88 MAPT (0.51) MAPTLMNAGRIA2CYP1A2CYP3A4
SCHEMBL6997430 0.87 GRIA2 (0.46) MAPTLMNAGRIA2CYP1A2CYP3A4
SCHEMBL6993715 0.85 GRIA2 (0.47) MAPTLMNAGRIA2CYP1A2CYP3A4
SCHEMBL7226645 0.84 CYP1A2 (0.55) MAPTLMNAGRIA2CYP1A2CYP3A4
SCHEMBL7453036 0.84 ROCK2 (0.54) MAPTLMNAGRIA2CYP1A2CYP3A4
SCHEMBL7228098 0.83 CYP1A2 (0.62) MAPTLMNAGRIA2CYP1A2CYP3A4
SCHEMBL6625258 0.82 GRIA2 (0.61) MAPTLMNAGRIA2CYP1A2CYP3A4
SCHEMBL6937483 0.80 MAPT (0.45) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL7607849 0.80 CYP1A2 (0.61) MAPTLMNAGRIA2CYP1A2CYP3A4
SCHEMBL6937957 0.78 MAPT (0.44) MAPTLMNAGRIA2CYP1A2CYP3A4

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 4 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
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