SCHEMBL8076269

SCHEMBL8076269

COc1ccc(N(C(=O)Oc2c3ccccc3nc3ccccc23)S(=O)(=O)c2ccc(CCC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
F2 P00734 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
KEAP1 Q14145 4/20 0.42
NFE2L2 Q16236 3/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TAS2R14 Q9NYV8 2/20 0.41
KDM4E B2RXH2 1/20 0.40
BMP1 P13497 1/20 0.40
PTGES O14684 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
CXCR3 P49682 1/20 0.39
GAA P10253 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
SCHEMBL8076560 0.94 MMP3 (0.42) ALDH1A1KMT2AF2HPGDLMNA
SCHEMBL9407911 0.92 LMNA (0.49) ALDH1A1KMT2ALMNAKEAP1NFE2L2
Bromide SCHEMBL8076530 0.89 KEAP1 (0.46) ALDH1A1KMT2AF2HPGDLMNA
SCHEMBL8469225 0.88 ALDH1A1 (0.48) ALDH1A1KMT2AF2HPGDLMNA
SCHEMBL8076290 0.88 KEAP1 (0.40) LMNAKEAP1NFE2L2TP53TOP2A
SCHEMBL7471994 0.87 KEAP1 (0.47) ALDH1A1KMT2AF2HPGDLMNA
SCHEMBL8074300 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AF2HPGDLMNA
Bromide SCHEMBL8076287 0.85 KEAP1 (0.43) ALDH1A1KMT2AF2HPGDLMNA
SCHEMBL9407919 0.84 LMNA (0.43) ALDH1A1KMT2AHPGDLMNATP53
SCHEMBL8076250 0.83 TSHR (0.42) ALDH1A1KMT2AHPGDLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330050-B1 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2000-08-23 EP disclosed
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0330050-A2 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-30 EP disclosed