SCHEMBL11223878

SCHEMBL11223878

CCS(=O)(=O)/C=C/Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA12 O43570 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CA14 Q9ULX7 4/20 0.40
▸ CA3 P07451 3/20 0.40
▸ CA4 P22748 3/20 0.40
▸ CA6 P23280 3/20 0.40
▸ CA5A P35218 3/20 0.40
▸ CA7 P43166 3/20 0.40
▸ CA13 Q8N1Q1 3/20 0.40
▸ CA5B Q9Y2D0 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ACHE P22303 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL11223881 1.00 MAPT (0.40) MAPTCA1CA2CA12CA9
SCHEMBL11225760 0.78 ACHE (0.51) MAPTCA1CA2CA12CA9
SCHEMBL11225755 0.78 ACHE (0.51) MAPTCA1CA2CA12CA9
SCHEMBL11235365 0.77 ALDH1A1 (0.38) MAPTCA1CA2CA12CA9
SCHEMBL11228714 0.77 ALDH1A1 (0.38) MAPTCA1CA2CA12CA9
SCHEMBL7361151 0.76 MAPT (0.47) MAPTCA1CA2CA12CA9
SCHEMBL7916733 0.72 TSHR (0.44) MAPTCA1CA2MEN1KMT2A
SCHEMBL7365151 0.72 TSHR (0.44) MAPTCA1CA2MEN1KMT2A
SCHEMBL5578350 0.72 MAPT (0.50) MAPTCA1CA2CA12CA9
SCHEMBL30208519 0.69 ACHE (0.56) MAPTMEN1KMT2AACHEHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321080-A Algicidal and fungicidal 1-halo-2-substituted-thioethyl sulfones, 2-substituted-thiovinyl sulfones, and 1,2-dihalothioethyl sulfones CHEVRON RESEARCH COMPANY (US) 1982-03-23 — — US disclosed
US-4255451-A TREATMENT OF TOMATO AND CELERY BLIGHT CHEVRON RESEARCH COMPANY (US) 1981-03-10 — — US disclosed
US-4196152-A Algicidal and fungicidal 1-halo-2-substituted-thioethyl sulfones, 2-substituted-thiovinyl sulfones, and 1,2-dihalothioethyl sulfones CHEVRON RESEARCH COMPANY (US) 1980-04-01 — — US disclosed
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