SCHEMBL9620317

SCHEMBL9620317

O=C(O)c1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ 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
SCHEMBL9620614 0.94 ALDH1A1 (0.58) PKMKMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9620334 0.90 PKM (0.54) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL9620467 0.89 PKM (0.53) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL9620477 0.88 KMT2A (0.53) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL9811375 0.87 KMT2A (0.46) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL2749472 0.86 KMT2A (0.65) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL9620583 0.85 ALDH1A1 (0.57) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL9620630 0.83 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL9620636 0.82 ALDH1A1 (0.55) PKMKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9620470 0.82 ALDH1A1 (0.54) PKMKMT2AMEN1ALDH1A1LMNA

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
EP-0221511-B1 2-AMINOSULFONYL-6-NITROBENZOIC ESTERS OR AMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1992-01-02 — — EP claimed
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