SCHEMBL7573187

SCHEMBL7573187

COc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.66
▸ PKM P14618 2/20 0.63
▸ POLB P06746 3/20 0.62
▸ LMNA P02545 5/20 0.61
▸ ALDH3A1 P30838 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ PLAU P00749 1/20 0.56
▸ HPGD P15428 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPK1 P28482 1/20 0.56

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
SCHEMBL7540532 0.89 ALDH3A1 (0.62) ALDH1A1PKMPOLBLMNAALDH3A1
SCHEMBL6680721 0.86 ALDH3A1 (0.58) ALDH1A1PKMPOLBLMNAALDH3A1
SCHEMBL6676324 0.86 ALDH1A1 (0.58) ALDH1A1PKMPOLBLMNAALDH3A1
SCHEMBL6677229 0.86 VCAM1 (0.60) ALDH1A1PKMPOLBLMNAALDH3A1
SCHEMBL96167 0.85 ALDH1A1 (0.70) ALDH1A1PKMPOLBLMNASMN1; SMN2
SCHEMBL5227535 0.84 ALDH1A1 (0.69) ALDH1A1PKMPOLBLMNASMN1; SMN2
SCHEMBL6680004 0.84 ALDH1A1 (0.58) ALDH1A1POLBLMNAALDH3A1SMN1; SMN2
SCHEMBL7536287 0.84 ALDH3A1 (0.65) ALDH1A1POLBLMNAALDH3A1SMN1; SMN2
SCHEMBL7580299 0.83 ALDH1A1 (0.68) ALDH1A1PKMPOLBLMNASMN1; SMN2
SCHEMBL7573014 0.83 ALDH1A1 (0.68) ALDH1A1PKMPOLBLMNASMN1; SMN2

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
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 — — EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 — — WO disclosed
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