SCHEMBL10549815

SCHEMBL10549815

CC(=O)Nc1cccc(S[N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ ALDH1A1 P00352 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ POLB P06746 3/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ NAPRT Q6XQN6 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL17324145 0.80 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1HSD17B10CYP1A2L3MBTL1
SCHEMBL13836493 0.80 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1HSD17B10CYP1A2L3MBTL1
SCHEMBL7143990 0.79 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL5208634 0.78 MAPT (0.70) SMN1; SMN2ALDH1A1HSD17B10CYP1A2POLB
SCHEMBL21415471 0.77 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1HSD17B10CYP1A2L3MBTL1
SCHEMBL4219569 0.77 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1HSD17B10CYP1A2L3MBTL1
SCHEMBL1248559 0.76 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1POLBRAB9AMEN1
SCHEMBL26804181 0.76 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HSD17B10CYP1A2L3MBTL1
SCHEMBL1901172 0.75 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1HSD17B10CYP1A2L3MBTL1
SCHEMBL2955716 0.74 SMN1; SMN2 (0.59) SMN1; SMN2HSD17B10L3MBTL1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 — — CN disclosed
US-4820332-A Herbicidal sulfonamides E. I. DUPONT DE NEMOURS AND COMPANY (US) 1989-04-11 — — US disclosed
US-4643759-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-02-17 — — US disclosed
EP-0168264-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-15 — — EP disclosed
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