SCHEMBL7703231

SCHEMBL7703231

Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c([CH]c2ccc(SC(F)(F)F)cc2)o1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
TSHR P16473 4/20 0.39
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTR6 P50406 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7696705 0.86 TSHR (0.47) ALDH1A1TSHRHSD17B10HTTHPGD
SCHEMBL7697443 0.84 TP53 (0.45) ALDH1A1TSHRKDM4EHSD17B10HTT
SCHEMBL7701856 0.81 ALDH1A1 (0.46) ALDH1A1TSHRKDM4EHSD17B10HTT
SCHEMBL7701098 0.79 ALDH1A1 (0.37) ALDH1A1TSHRKDM4EHSD17B10HTT
SCHEMBL7701099 0.78 ALDH1A1 (0.56) ALDH1A1TSHRKDM4EHTTTP53
SCHEMBL7696694 0.71 UBE2N (0.42) ALDH1A1TSHRKDM4EHSD17B10HTT
SCHEMBL7667933 0.68 ALDH1A1 (0.67) ALDH1A1TSHRKDM4EHTTHPGD
SCHEMBL7663107 0.67 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EHSD17B10HTT
SCHEMBL7696800 0.67 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EHSD17B10HTT
SCHEMBL7696766 0.66 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EHSD17B10HTT

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-2002100842-A1 SULFONYLOXAZOLAMINES AND THEIR USE AS 5-HT6 LIGANDS MERCK PATENT GMBH (DE) 2002-12-19 WO claimed
WO-2002100842-A1 SULFONYLOXAZOLAMINES AND THEIR USE AS 5-HT6 LIGANDS MERCK PATENT GMBH (DE) 2002-12-19 WO disclosed