SCHEMBL13433217

SCHEMBL13433217

COc1ccc(N(C(=O)c2c3ccccc3nc3occc23)S(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
F2 P00734 3/20 0.51
HPGD P15428 3/20 0.51
HSP90AA1 P07900 2/20 0.45
KEAP1 Q14145 9/20 0.45
NFE2L2 Q16236 8/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13433216 0.91 KMT2A (0.47) KMT2AALDH1A1F2HPGDHSP90AA1
Bromide SCHEMBL8471510 0.90 HSP90AA1 (0.50) KMT2AALDH1A1F2HPGDHSP90AA1
Bromide SCHEMBL8469213 0.84 HSP90AA1 (0.48) KMT2AALDH1A1F2HPGDHSP90AA1
SCHEMBL3426726 0.83 ALDH1A1 (0.41) KMT2AALDH1A1F2HPGDHSP90AA1
SCHEMBL8469225 0.81 ALDH1A1 (0.48) KMT2AALDH1A1F2HPGDHSP90AA1
Bromide SCHEMBL8469899 0.80 KEAP1 (0.45) ALDH1A1KEAP1NFE2L2MAPTTP53
Bromide SCHEMBL8076530 0.78 KEAP1 (0.46) KMT2AALDH1A1F2HPGDHSP90AA1
SCHEMBL8470105 0.78 ALDH1A1 (0.43) KMT2AALDH1A1F2HPGDHSP90AA1
SCHEMBL8144928 0.78 TP53 (0.64) KMT2AALDH1A1F2HPGDHSP90AA1
Bromide SCHEMBL8469666 0.78 KEAP1 (0.48) ALDH1A1KEAP1NFE2L2LMNA

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
US-7695980-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-04-13 US disclosed