SCHEMBL11057477

SCHEMBL11057477

O=C(O)c1cccn1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ GAA P10253 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ KCNMA1 Q12791 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42

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
SCHEMBL11059173 0.84 KMT2A (0.43) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL11053201 0.76 HDAC1 (0.44) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL11057194 0.72 MAPK1 (0.53) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL113558 0.70 MEN1 (0.71) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL175272 0.70 MEN1 (0.71) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL9062960 0.69 MEN1 (0.59) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL453183 0.68 AKR1C3 (0.68) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL6857920 0.68 KMT2A (0.73) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL11332310 0.68 KMT2A (0.73) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL15009477 0.68 MAPK1 (0.56) MEN1KMT2AALDH1A1L3MBTL1MAPK1

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
US-4450108-A ANTIDEPRESSANTS; NEUROLEPTIC AGENTS; PSYCHOLOGICAL DISORDERS SANDOZ LTD. (CH) 1984-05-22 — — US disclosed
EP-0031115-A1 New pyrrolobenzotriazepines, their production and pharmaceutical compositions containing them SANDOZ AG (CH) 1981-07-01 — — EP disclosed
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