SCHEMBL24762016

SCHEMBL24762016

NCCCCCCCNS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
ALDH1A1 P00352 6/20 0.57
PKM P14618 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SIGMAR1 Q99720 4/20 0.54
CYP3A4 P08684 4/20 0.53
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 2/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49

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
SCHEMBL23683108 1.00 GAA (0.57) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL2011681 0.94 MMP1 (0.55) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL15145874 0.93 GAA (0.60) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL9780583 0.91 ALDH1A1 (0.67) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL15145875 0.86 CYP3A4 (0.70) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL12849347 0.83 ALDH1A1 (0.66) ALDH1A1PKMKMT2AMEN1KDM4E
SCHEMBL11629929 0.83 ALDH1A1 (0.59) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL23683085 0.83 GAA (0.61) GAAALDH1A1PKMKMT2AMEN1
SCHEMBL17599857 0.83 ALDH1A1 (0.66) ALDH1A1PKMKMT2AMEN1KDM4E
SCHEMBL10078758 0.83 ALDH1A1 (0.75) GAAALDH1A1PKMKMT2AMEN1

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-2022169755-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL) BENZENESULFONAMIDES AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2022-08-11 WO disclosed