SCHEMBL4456834

SCHEMBL4456834

O=C(O)Nc1cccc(-c2nc(-c3cccnc3)no2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.62
MAPT P10636 4/20 0.62
POLB P06746 2/20 0.62
CHRNB2 P17787 4/20 0.59
CHRNA5 P30532 4/20 0.59
CHRNA4 P43681 4/20 0.59
CA9 Q16790 1/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 4/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 2/20 0.58
HPGD P15428 1/20 0.58
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HAVCR2 Q8TDQ0 4/20 0.55
MEN1 O00255 1/20 0.53

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
SCHEMBL2458170 0.89 TP53 (0.76) TP53MAPTPOLBCHRNB2CHRNA5
SCHEMBL11711722 0.85 SMN1; SMN2 (0.68) TP53MAPTPOLBCHRNB2CHRNA5
SCHEMBL1422869 0.83 MAPT (0.55) TP53MAPTPOLBCHRNB2CHRNA5
SCHEMBL1422372 0.82 KMO (0.67) TP53MAPTPOLBCHRNB2CHRNA5
SCHEMBL27767559 0.82 CHRNB2 (0.66) TP53MAPTCHRNB2CHRNA5CHRNA4
SCHEMBL27811101 0.81 CNR1 (0.66) NPC1RAB9AALDH1A1MEN1HTT
SCHEMBL1422479 0.81 CHRNB2 (0.64) TP53MAPTCHRNB2CHRNA5CHRNA4
SCHEMBL10316671 0.80 ALDH1A1 (0.57) TP53MAPTPOLBCHRNB2CHRNA5
SCHEMBL9315657 0.79 TP53 (0.64) TP53MAPTPOLBNPC1SMN1; SMN2
SCHEMBL1422760 0.79 CA9 (0.65) TP53MAPTCHRNB2CHRNA5CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 EP claimed
EP-2101763-B1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LAB (US) 2012-07-18 EP claimed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 EP disclosed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 WO disclosed