SCHEMBL10566766

SCHEMBL10566766

COC(=O)c1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.62
▸ POLB P06746 1/20 0.62
▸ ATM Q13315 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ MAPT P10636 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MEN1 O00255 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ PKM P14618 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10653057 0.86 KMT2A (0.67) KMT2APOLBATMTDP1MAPT
SCHEMBL10571707 0.83 KMT2A (0.55) KMT2APOLBATMTDP1MAPT
SCHEMBL10571596 0.81 GFER (0.46) KMT2APOLBATMTDP1MAPT
SCHEMBL9620467 0.80 PKM (0.53) KMT2AMEN1ALDH1A1PKM
SCHEMBL2062534 0.79 POLB (0.75) KMT2APOLBATMTDP1GAA
SCHEMBL31234627 0.79 POLB (0.75) KMT2APOLBATMTDP1GAA
SCHEMBL9620630 0.79 ALDH1A1 (0.56) KMT2APOLBTDP1MEN1ALDH1A1
SCHEMBL4818765 0.76 CA1 (0.51) KMT2APOLBTDP1MAPTTP53
SCHEMBL4815932 0.76 SLC10A6 (0.47) KMT2APOLBTDP1MAPTTP53
SCHEMBL30305428 0.76 SLC10A6 (0.47) KMT2APOLBTDP1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0197386-B1 2-(SUBSTITUTED SULFAMYL) DERIVATIVES OF 6-NITROBENZOIC ACID, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1988-11-02 — — EP claimed
EP-0197386-A1 2-(Substituted sulfamyl) derivatives of 6-nitrobenzoic acid, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-10-15 — — EP claimed
US-4847294-A Derivatives of 2-(substituted sulfamyl)-6-nitrobenzoic acids, useful as adjuncts to radiation therapy MERCK & CO., INC. (US) 1989-07-11 — — US disclosed
EP-0197386-B1 2-(SUBSTITUTED SULFAMYL) DERIVATIVES OF 6-NITROBENZOIC ACID, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1988-11-02 — — EP disclosed
EP-0265806-A1 2-(Substituted sulfamyl)-6-nitrobenzoic acids, amides and esters thereof useful as adjuncts to radiation therapy MERCK & CO. INC. (US) 1988-05-04 — — EP disclosed
US-4694020-A Derivatives of 2-(substituted sulfamyl)-6-nitrobenzoic acids and pharmaceutical compositions MERCK & CO., INC. (US) 1987-09-15 — — US disclosed
US-4654369-A Esters of 2-(substituted sulfamyl)-6-nitro-benzoic acid and pharmaceutical compositions MERCK & CO., INC. (US) 1987-03-31 — — US disclosed
EP-0197386-A1 2-(Substituted sulfamyl) derivatives of 6-nitrobenzoic acid, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-10-15 — — EP disclosed
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