SCHEMBL21296443

SCHEMBL21296443

[N-]=[N+]=Nc1ccc([N+](=O)[O-])c(C(=O)OC2CC(=O)NC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
GRIA2 P42262 1/20 0.35
POLB P06746 2/20 0.32
RIPK1 Q13546 1/20 0.32
STAT3 P40763 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
RYR2 Q92736 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 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
SCHEMBL29425269 1.00 MEN1 (0.41) MEN1KMT2APKMGRIA2POLB
SCHEMBL16429019 0.78 GRIA2 (0.36) GRIA2GABRA1GABRG2GABRB3GABRA5
SCHEMBL617412 0.78 RAB9A (0.42) MEN1KMT2APKMPOLBALDH1A1
Succinimide SCHEMBL28711840 0.75 DTYMK (0.43) MEN1KMT2AGRIA2STAT3TDP1
SCHEMBL14031083 0.73 SIRT6 (0.36) MEN1KMT2APKMGRIA2RIPK1
SCHEMBL14190012 0.72 DTYMK (0.53) MEN1KMT2AGRIA2STAT3TDP1
SCHEMBL31672306 0.72 DTYMK (0.53) MEN1KMT2AGRIA2STAT3TDP1
SCHEMBL27450044 0.69 GRIA2 (0.38) MEN1KMT2APKMGRIA2POLB
SCHEMBL28195849 0.68 DTYMK (0.42) MEN1KMT2AGRIA2STAT3TDP1
SCHEMBL13958736 0.67 SMN1; SMN2 (0.41) GRIA2STAT3RYR2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4165549-A1 METHODS AND SYSTEMS FOR COMPUTATIONAL DECODING OF BIOLOGICAL, CHEMICAL, AND PHYSICAL ENTITIES Nautilus Biotechnology, Inc. (US) 2023-04-19 EP disclosed
WO-2021252800-A1 METHODS AND SYSTEMS FOR COMPUTATIONAL DECODING OF BIOLOGICAL, CHEMICAL, AND PHYSICAL ENTITIES NAUTILUS BIOTECHNOLOGY, INC. (US) 2021-12-16 WO disclosed
EP-3775196-A1 METHODS OF GENERATING NANOARRAYS AND MICROARRAYS Nautilus Biotechnology, Inc. (US) 2021-02-17 EP disclosed
WO-2020223368-A1 METHODS AND SYSTEMS FOR INTEGRATED ON-CHIP SINGLE-MOLECULE DETECTION NAUTILUS BIOTECHNOLOGY, INC. (US) 2020-11-05 WO disclosed
WO-2020198693-A1 MICROFLUIDIC DEVICES FOR TATTOO PIGMENT SAFETY EMULATE, Inc. (US) 2020-10-01 WO disclosed
WO-2019195633-A1 METHODS OF GENERATING NANOARRAYS AND MICROARRAYS IGNITE BIOSCIENCES, INC. (US) 2019-10-10 WO disclosed
WO-2019165279-A1 ORGANS-ON-CHIPS AS A PLATFORM FOR EPIGENETICS DISCOVERY EMULATE, Inc. (US) 2019-08-29 WO disclosed