SCHEMBL31647148

SCHEMBL31647148

CC(C)(C)NS(=O)(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CTSB P07858 1/20 0.43
CA9 Q16790 6/20 0.43
GAA P10253 1/20 0.41
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA12 O43570 4/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 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
SCHEMBL31646617 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4MEN1KMT2ACTSB
SCHEMBL5840961 0.78 CA1 (0.64) ALDH1A1CYP3A4MAPTCTSBCA9
SCHEMBL31646933 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL7769730 0.75 ALDH1A1 (0.56) ALDH1A1CYP3A4MEN1KMT2ACTSB
SCHEMBL5840098 0.75 ALDH1A1 (0.56) ALDH1A1CYP3A4MEN1KMT2ACTSB
SCHEMBL31646963 0.75 ALDH1A1 (0.56) ALDH1A1CYP3A4MEN1KMT2ACTSB
SCHEMBL7745986 0.75 ALDH1A1 (0.51) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL773215 0.75 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3087579 0.74 CA1 (0.58) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL1625381 0.74 VCAM1 (0.70) ALDH1A1CA1CA2LMNATHRB

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
WO-2025133191-A1 NOVEL SULFONAMIDES OR SULFONES AND THEIR USE AS NEUROPROTECTIVE AND/OR NEURORESTORATIVE AGENTS GENECODE (EE) 2025-06-26 WO disclosed