SCHEMBL8649331

SCHEMBL8649331

O=[N+]([O-])c1no[n+]([O-])c1[N+](=O)[O-].[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.50
ABCB1 P08183 1/20 0.50
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HSP90AA1 P07900 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NSD2 O96028 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL9014154 0.98 ABCC1 (0.51) ABCC1ABCB1CA12CA1CA2
SCHEMBL28898103 0.86 ABCC1 (0.46) ABCC1ABCB1CA12CA1CA2
SCHEMBL31439265 0.75 ABCC1 (0.50) ABCC1ABCB1CA12CA1CA2
SCHEMBL31439271 0.75 ABCC1 (0.50) ABCC1ABCB1CA12CA1CA2
SCHEMBL31188779 0.75 ABCC1 (0.50) ABCC1ABCB1CA12CA1CA2
SCHEMBL7082013 0.75 ABCC1 (0.50) ABCC1ABCB1CA12CA1CA2
SCHEMBL30262276 0.73 ABCC1 (0.49) ABCC1ABCB1CA12CA1CA2
SCHEMBL14721896 0.73 ABCC1 (0.49) ABCC1ABCB1CA12CA1CA2
SCHEMBL30892508 0.71 ABCC1 (0.40) ABCC1ABCB1CA12CA1CA2
SCHEMBL29765264 0.71 ABCC1 (0.58) ABCC1ABCB1CA12CA1CA2

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-0745574-B1 Process for the production of a pyrotechnic or explosive device ICI PLC (GB) 1998-09-23 EP claimed
US-5665276-A Process for the production of a pyrotechnic or explosive device IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-09-09 US claimed