SCHEMBL31169783

SCHEMBL31169783

Cc1ccc(S(=O)(=O)NBr)cc1.[Na]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ CA1 P00915 3/20 0.61
▸ CA2 P00918 3/20 0.61
▸ MMP1 P03956 1/20 0.61
▸ MMP2 P08253 1/20 0.61
▸ MMP9 P14780 1/20 0.61
▸ MMP8 P22894 1/20 0.61
▸ MMP13 P45452 1/20 0.61
▸ ALDH1A1 P00352 9/20 0.57
▸ KDM4E B2RXH2 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ ALOX12 P18054 3/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ CYP2C19 P33261 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55

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
SCHEMBL3182522 1.00 GAA (0.64) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL5854983 0.98 GAA (0.61) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL3190652 0.98 GAA (0.61) GAASMN1; SMN2CA1CA2MMP1
Styrene SCHEMBL28501274 0.81 CA12 (0.50) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL29658990 0.81 ALDH1A1 (0.67) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL187561 0.80 GAA (0.70) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL7627224 0.80 ALDH1A1 (0.72) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL10950543 0.78 GAA (0.67) GAASMN1; SMN2CA1CA2MMP1
Potassium SCHEMBL29525387 0.78 GAA (0.67) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL30960 0.78 GAA (1.00) GAASMN1; SMN2CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12076303-B2 N-bromotaurine solutions and emulsions against abnormal cells NASCO AD BIOTECHNOLOGY LABORATORY (GR) 2024-09-03 — — US claimed
US-12076303-B2 N-bromotaurine solutions and emulsions against abnormal cells NASCO AD BIOTECHNOLOGY LABORATORY (GR) 2024-09-03 — — US disclosed
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