SCHEMBL6825142

SCHEMBL6825142

COc1ccc(CNC(=O)Nc2cccc3ccc(OS(C)(=O)=O)cc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
ALDH1A1 P00352 2/20 0.72
TRPV1 Q8NER1 7/20 0.60
GSK3B P49841 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
SNCA P37840 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL6822253 0.91 KDM4E (0.71) KDM4EMEN1KMT2AALDH1A1TRPV1
SCHEMBL6821508 0.88 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1TRPV1
SCHEMBL6824610 0.85 KDM4E (0.78) KDM4EMEN1KMT2AALDH1A1TRPV1
SCHEMBL6827222 0.82 TRPV1 (0.59) KDM4EMEN1KMT2AALDH1A1TRPV1
SCHEMBL7247143 0.78 ALDH1A1 (0.46) ALDH1A1TRPV1MAPTPOLB
SCHEMBL7163976 0.77 MTNR1A (0.43) ALDH1A1TRPV1MAPTPOLBHTT
SCHEMBL4025421 0.75 TRPV1 (1.00) KDM4EMEN1KMT2AALDH1A1TRPV1
SCHEMBL487112 0.73 TRPV1 (0.44) KDM4EMEN1KMT2AALDH1A1TRPV1
SCHEMBL6824965 0.72 CA12 (0.64) KDM4EMEN1KMT2AALDH1A1TRPV1
SCHEMBL6821502 0.71 TRPV1 (0.54) KDM4EMEN1KMT2AALDH1A1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004089881-A1 NEW SULFONYL DERIVATIVES OF AMINONAPHTOLS ASTRAZENECA AB (SE) 2004-10-21 WO claimed
WO-2004089881-A1 NEW SULFONYL DERIVATIVES OF AMINONAPHTOLS ASTRAZENECA AB (SE) 2004-10-21 WO disclosed