SCHEMBL7532968

SCHEMBL7532968

COc1ccc(N(C(=O)c2c3ccccc3nc3cc4ccccc4cc23)S(=O)(=O)c2cccc(C(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.46
HSP90AA1 P07900 1/20 0.46
F2 P00734 2/20 0.45
HPGD P15428 2/20 0.45
KEAP1 Q14145 3/20 0.44
NFE2L2 Q16236 3/20 0.44
TP53 P04637 1/20 0.42
DHODH Q02127 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7470894 0.85 KMT2A (0.44) KMT2AALDH1A1MAPTGAAHSP90AA1
SCHEMBL7531567 0.82 KEAP1 (0.42) KMT2AALDH1A1MAPTGAAHSP90AA1
SCHEMBL8469225 0.80 ALDH1A1 (0.48) KMT2AALDH1A1MAPTGAAHSP90AA1
SCHEMBL8469584 0.79 MAPT (0.53) KMT2AALDH1A1MAPTHSP90AA1HPGD
SCHEMBL8471272 0.76 ALDH1A1 (0.46) KMT2AALDH1A1MAPTGAAHSP90AA1
SCHEMBL7471994 0.76 KEAP1 (0.47) KMT2AALDH1A1MAPTGAAHSP90AA1
SCHEMBL8144928 0.75 TP53 (0.64) KMT2AALDH1A1MAPTGAAHSP90AA1
Bromide SCHEMBL8471510 0.73 HSP90AA1 (0.50) KMT2AALDH1A1MAPTGAAHSP90AA1
SCHEMBL8144973 0.72 HSP90AA1 (0.53) KMT2AALDH1A1MAPTGAAHSP90AA1
Bromide SCHEMBL7469202 0.71 KMT2A (0.48) KMT2AALDH1A1MAPTGAAHSP90AA1

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-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-5395752-A Detecting emission signals of conjugates of angular or linear four ring or three ring acridinium compounds CIBA CORNING DIAGNOSTICS CORP. (US) 1995-03-07 US disclosed
WO-1994021823-A1 LONG EMISSION WAVELENGTH CHEMILUMINESCENT COMPOUNDS AND THEIR USE IN TEST ASSAYS CIBA CORNING DIAGNOSTICS CORP. (US) 1994-09-29 WO disclosed
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed