SCHEMBL28407772

SCHEMBL28407772

O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.52
▸ HSD17B2 P37059 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ ESR1 P03372 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ FFAR1 O14842 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ HTT P42858 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ITGA1 P56199 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 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
SCHEMBL17557158 0.90 FFAR4 (0.71) FFAR4ALDH1A1GAAPOLBPKM
SCHEMBL10182996 0.86 ALDH1A1 (0.69) FFAR4ALDH1A1HSD17B2GAAESR1
SCHEMBL15647438 0.79 KMT2A (0.61) FFAR4ALDH1A1GAAPOLBPKM
SCHEMBL6674388 0.78 LMNA (0.67) ALDH1A1POLBPKMHTTSMN1; SMN2
SCHEMBL7577204 0.78 CA2 (0.66) FFAR4ALDH1A1POLBCA1CA2
SCHEMBL810667 0.77 MAPT (0.64) ALDH1A1POLBPKMCA1CA2
SCHEMBL6680721 0.77 ALDH3A1 (0.58) ALDH1A1GAAPOLBPKMSMN1; SMN2
SCHEMBL6674707 0.77 ALDH1A1 (0.55) ALDH1A1POLBPKMCA1CA2
SCHEMBL9535518 0.77 NPSR1 (0.65) ALDH1A1HSD17B2POLBPKMCA1
SCHEMBL28186748 0.76 MAPT (0.54) ALDH1A1GAAPOLBPKMLMNA

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
CN-107372504-B Application of sulfonamide compound in enhancing plant stress resistance and medicament containing same 华中师范大学 2020-05-19 — — CN disclosed
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