SCHEMBL9364728

SCHEMBL9364728

COc1ccc(C(C)=O)c(Br)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PKM P14618 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NQO2 P16083 2/20 0.39
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL13835525 0.82 TDP1 (0.53) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL14495072 0.81 KDM4E (0.51) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL6552022 0.80 MAPT (0.54) TDP1POLBL3MBTL1ALDH1A1MEN1
SCHEMBL10659582 0.79 TDP1 (0.54) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL7840604 0.79 KMT2A (0.40) TDP1POLBPKMALDH1A1MEN1
SCHEMBL4869351 0.77 TDP1 (0.50) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL28253250 0.76 TDP1 (0.49) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL11102155 0.76 MAPT (0.54) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL10912275 0.76 TDP1 (0.72) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL14495075 0.76 MAPT (0.51) TDP1KDM4EALDH1A1LMNAHSD17B10

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-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 — — EP disclosed
US-5061706-A 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS NOVO NORDISK A/S (DK) 1991-10-29 — — US disclosed
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