SCHEMBL7709606

SCHEMBL7709606

O=[N+]([O-])[O-].O=[N+]([O-])[O-].[N].[Ni+2]

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.36
HIF1A Q16665 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
SCHEMBL11590100 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL3900504 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL3909416 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL3892533 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL3898799 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL3897396 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL3904163 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL1121205 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL3899631 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL1140833 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR

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
JP-11047607-A None JP disclosed
US-6455463-B1 Alkaline earth/transition metal lean NOx catalyst DELPHI TECHNOLOGIES, INC. 2002-09-24 US disclosed
US-20020132733-A1 ALKALINE EARTH/TRANSITION METAL LEAN NOX CATALYST UMICORE AG & CO. KG (DE) 2002-09-19 US disclosed
JP-H1147607-A CATALYST AND METHOD FOR REFORMING HYDROCARBON WITH CARBON DIOXIDE, ITS PRODUCTION AND ISOLATING PRODUCTION OF HYDROGEN AND CARBON MONOXIDE NISSAN GAADORAA SHOKUBAI KK 1999-02-23 JP disclosed