SCHEMBL8933455

SCHEMBL8933455

COc1ccc(CS(=O)(=O)c2ccccc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALOX12 P18054 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.49
KMT2A Q03164 3/20 0.49
PLCG1 P19174 1/20 0.48
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.45
LTA4H P09960 1/20 0.44
KEAP1 Q14145 1/20 0.44
MMP1 P03956 1/20 0.44
MMP13 P45452 1/20 0.44
NSD2 O96028 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
SCHEMBL1911882 0.83 TSHR (0.58) POLBHTTALDH1A1ALOX12L3MBTL1
SCHEMBL27472412 0.80 L3MBTL1 (0.55) POLBHTTALDH1A1ALOX12L3MBTL1
SCHEMBL5051036 0.78 KMT2A (0.47) POLBHTTALDH1A1L3MBTL1KMT2A
SCHEMBL5051033 0.78 KMT2A (0.50) POLBHTTALDH1A1L3MBTL1KMT2A
SCHEMBL11138536 0.76 ALDH1A1 (0.46) POLBHTTALDH1A1ALOX12KMT2A
SCHEMBL29149689 0.75 NFE2L2 (0.47) POLBALDH1A1CYP1A2CYP3A4TP53
SCHEMBL8933453 0.75 PKM (0.62) ALDH1A1KMT2AMEN1KEAP1MMP1
SCHEMBL7077705 0.75 ALDH1A1 (0.59) POLBHTTALDH1A1LTA4HKEAP1
Anisole SCHEMBL11531120 0.74 CA4 (0.54) POLBALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL23554954 0.74 KEAP1 (0.62) HTTALDH1A1KMT2AMEN1KEAP1

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-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO claimed
WO-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO disclosed