SCHEMBL8555271

SCHEMBL8555271

COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C1CCOC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.45
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
TP53 P04637 1/20 0.43
ACLY P53396 1/20 0.43

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
SCHEMBL7358488 0.83 KMT2A (0.56) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL7361784 0.74 PDE4D (0.61) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL7358896 0.74 KMT2A (0.70) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL21947446 0.71 MAPT (0.52) KMT2AMAPK1ALDH1A1LMNA
SCHEMBL21569521 0.71 MAPT (0.52) KMT2AMAPK1ALDH1A1LMNA
SCHEMBL27997507 0.69 HTR2C (0.56) KMT2AMEN1
SCHEMBL15856028 0.69 HTR6 (0.47) KMT2AMEN1ALDH1A1HTTKEAP1
SCHEMBL27535581 0.68 LRRK2 (0.47) KMT2AMEN1ALDH1A1GAA
SCHEMBL7359855 0.68 KMT2A (0.64) KMT2AMEN1MAPK1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2719412 0.68 HTR6 (0.46) KMT2AMEN1ALDH1A1HTTKEAP1

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
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP claimed