SCHEMBL28129418

SCHEMBL28129418

NC(Cc1c[nH]cn1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MGLL Q99685 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PTPN7 P35236 1/20 0.38
▸ PTPN12 Q05209 1/20 0.38
▸ PTPN22 Q9Y2R2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11416816 0.85 RAB9A (0.43) HTR2AMAPTL3MBTL1
SCHEMBL7782152 0.83 SLC1A3 (0.37) KMT2APKMMAPTALDH1A1L3MBTL1
SCHEMBL7782151 0.83 SLC1A3 (0.37) KMT2APKMMAPTALDH1A1L3MBTL1
Histidine SCHEMBL8315963 0.80 ITGB3 (0.46) KMT2APKMHTR2ALMNAMAPT
SCHEMBL1171906 0.80 ITGB3 (0.46) KMT2APKMHTR2ALMNAMAPT
Histidine SCHEMBL8316688 0.80 ITGB3 (0.46) KMT2APKMHTR2ALMNAMAPT
SCHEMBL29576680 0.79 MEN1 (0.43) KMT2AGAALMNAMAPTALDH1A1
SCHEMBL27515997 0.78 KMT2A (0.46) KMT2AMGLLLMNAMAPTALDH1A1
SCHEMBL29914784 0.78 GAA (0.40) BCL9CTNNB1MGLLGAAHTR2A
SCHEMBL1653019 0.77 ALDH1A1 (0.38) KMT2ALMNAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459144-A Amide compounds, methods of production and uses thereof 制药有限责任公司 2017-02-22 — — CN disclosed
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