SCHEMBL6999972

SCHEMBL6999972

CC(=O)NCC1=NN=C(c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
MAPT P10636 5/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KCNMA1 Q12791 1/20 0.36
DYRK1A Q13627 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 2/20 0.35
CNR1 P21554 1/20 0.35
CYP1A2 P05177 1/20 0.35
GSK3B P49841 1/20 0.35
MTNR1A P48039 1/20 0.34

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
SCHEMBL7226781 0.85 MAPT (0.44) NPC1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7645771 0.84 MAPT (0.43) NPC1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7646167 0.82 MAPT (0.43) NPC1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6935668 0.79 MAPT (0.44) NPC1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7000840 0.76 MAPT (0.41) NPC1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7441422 0.76 MDM2 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7227511 0.76 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7002338 0.75 MAPT (0.41) NPC1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6933786 0.72 PSD (0.44) NPC1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7235436 0.72 MAPT (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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