SCHEMBL1702949

SCHEMBL1702949

CC(O)CCC(Br)[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL1702908 0.79
SCHEMBL5300717 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1857428 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5300723 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8931943 0.73
SCHEMBL4147210 0.73
SCHEMBL9879405 0.71 CPA1 (0.31)
SCHEMBL178225 0.70
SCHEMBL20641014 0.69
SCHEMBL6384594 0.69

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
EP-3891157-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2021-10-13 EP disclosed
WO-2020117626-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-06-11 WO disclosed
EP-2440047-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES Dow Global Technologies LLC (US) 2012-04-18 EP disclosed
WO-2010144511-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES DOW GLOBAL TECHNOLOGIES INC. (US) 2010-12-16 WO disclosed