SCHEMBL6996884

SCHEMBL6996884

O=[N+]([O-])c1ccc(C2=NNC(=S)Cc3cc(Cl)c(Cl)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
XBP1 P17861 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CHRM1 P11229 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.37
EGFR P00533 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MCL1 Q07820 2/20 0.36
CYP2D6 P10635 1/20 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
SCHEMBL6993558 0.89 MAPT (0.41) MAPTXBP1TDP1PLA2G1BATG4B
SCHEMBL6993715 0.87 GRIA2 (0.47) MAPTXBP1TDP1PLA2G1BATG4B
SCHEMBL7001539 0.85 MAPT (0.51) MAPTXBP1TDP1PLA2G1BATG4B
SCHEMBL7447280 0.84 CHRM1 (0.43) MAPTXBP1TDP1PLA2G1BATG4B
SCHEMBL7226695 0.83 GRIA2 (0.47) MAPTXBP1TDP1PLA2G1BATG4B
SCHEMBL7225951 0.82 MAPT (0.52) MAPTXBP1TDP1PLA2G1BATG4B
SCHEMBL7234076 0.80 CYP1A2 (0.49) MAPTXBP1TDP1PLA2G1BATG4B
SCHEMBL7607849 0.77 CYP1A2 (0.61) MAPTXBP1TDP1PLA2G1BATG4B
SCHEMBL6997430 0.76 GRIA2 (0.46) MAPTXBP1TDP1PLA2G1BATG4B
SCHEMBL6935103 0.76 MAPT (0.44) MAPTTDP1LMNAHSD17B10EGFR

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