SCHEMBL7470894

SCHEMBL7470894

COc1ccc(N(C(=O)Oc2c3ccccc3nc3ccccc23)S(=O)(=O)c2cccc(C(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
GLA P06280 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
HSP90AA1 P07900 1/20 0.43
F2 P00734 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
DHODH Q02127 2/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 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
SCHEMBL7471994 0.91 KEAP1 (0.47) KMT2AKEAP1NFE2L2MAPTALDH1A1
Bromide SCHEMBL7469202 0.87 KMT2A (0.48) KMT2AMAPTALDH1A1GAAHSP90AA1
SCHEMBL7532968 0.85 KMT2A (0.46) KMT2AGLAKEAP1NFE2L2MAPT
SCHEMBL9407963 0.83 MAPT (0.43) KMT2AGLAMAPTALDH1A1GAA
SCHEMBL7458558 0.82 MAPT (0.45) KMT2AMAPTALDH1A1GAAHPGD
SCHEMBL8076562 0.82 MAPT (0.52) KMT2AKEAP1NFE2L2MAPTALDH1A1
SCHEMBL8076269 0.82 ALDH1A1 (0.42) KMT2AKEAP1NFE2L2MAPTALDH1A1
SCHEMBL8076560 0.80 MMP3 (0.42) KMT2AKEAP1NFE2L2ALDH1A1HSP90AA1
Bromide SCHEMBL7459708 0.79 HSP90AA1 (0.50) KMT2AMAPTALDH1A1GAAHSP90AA1
Bromide SCHEMBL8076530 0.77 KEAP1 (0.46) KMT2AKEAP1NFE2L2MAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647628-B1 Acridinium derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2002-09-11 EP disclosed
EP-0257541-B1 Chemilumuniscent acridine derivatives and their use in luminescence immunoassays HOECHST AG (DE) 1996-01-03 EP disclosed
EP-0647628-A1 Acridmium derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-12 EP disclosed
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0257541-A2 Chemilumuniscent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-02 EP disclosed