SCHEMBL6993558

SCHEMBL6993558

O=[N+]([O-])c1ccc(C2=NNC(=S)Cc3ccc(Cl)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MCL1 Q07820 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
XBP1 P17861 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.39
PSD A5PKW4 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CHRM1 P11229 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL6996884 0.89 MAPT (0.42) MAPTMEN1KMT2ATDP1MCL1
SCHEMBL6997430 0.87 GRIA2 (0.46) MAPTMEN1KMT2ATDP1MCL1
SCHEMBL7001539 0.86 MAPT (0.51) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL7225951 0.83 MAPT (0.52) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL7447280 0.83 CHRM1 (0.43) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL7226695 0.82 GRIA2 (0.47) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL7234076 0.79 CYP1A2 (0.49) MAPTMEN1KMT2ATDP1XBP1
SCHEMBL6937958 0.78 MAPT (0.44) MAPTMEN1KMT2ATDP1MCL1
SCHEMBL6993715 0.76 GRIA2 (0.47) MAPTMEN1KMT2ATDP1MCL1
SCHEMBL6935668 0.76 MAPT (0.44) MAPTMEN1KMT2ATDP1MCL1

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