SCHEMBL9370007

SCHEMBL9370007

C=CCS(=O)(=O)c1nc([N+](=O)[O-])c[nH]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PNMT P11086 1/20 0.31

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
SCHEMBL15569858 0.74 CA2 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL9364601 0.68 KMT2A (0.38) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL57363 0.68 CA1 (0.43) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL2361633 0.68 KMT2A (0.45) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL10752767 0.67 — —
SCHEMBL16429380 0.67 KMT2A (0.44) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL8016907 0.66 — —
SCHEMBL7555586 0.65 — —
SCHEMBL64072 0.65 CYP3A4 (0.33) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL28920099 0.65 ALDH1A1 (0.33) ALDH1A1MEN1MAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095925-B2 Herbicidal imidazole, pyrazole, thiazole and isothiazole derivatives DU PONT (US) 1994-12-07 — — EP disclosed
US-4946496-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-07 — — US disclosed
US-4931081-A Herbicidal diazoles sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-06-05 — — US disclosed
EP-0095925-B1 HERBICIDAL IMIDAZOLE, PYRAZOLE, THIAZOLE AND ISOTHIAZOLE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-22 — — EP disclosed
EP-0095925-A2 Herbicidal imidazole, pyrazole, thiazole and isothiazole derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-07 — — EP disclosed
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