SCHEMBL7696676

SCHEMBL7696676

Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(C(N)c2ccc(C(C)(C)C)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 3/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR6 P50406 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
IKBKB O14920 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7700429 0.90 ALDH1A1 (0.45) TP53MAPTALDH1A1TSHRKDM4E
SCHEMBL7695041 0.88 TP53 (0.47) TP53MAPTALDH1A1TSHRHTT
SCHEMBL7704672 0.86 MAPT (0.45) TP53MAPTALDH1A1TSHRKDM4E
SCHEMBL7700902 0.85 ALDH1A1 (0.44) TP53MAPTALDH1A1TSHRKDM4E
SCHEMBL7699868 0.84 ALDH1A1 (0.37) TP53MAPTALDH1A1TSHRKDM4E
SCHEMBL7701098 0.84 ALDH1A1 (0.37) TP53MAPTALDH1A1TSHRKDM4E
SCHEMBL7702583 0.82 POLB (0.42) TP53MAPTALDH1A1TSHRKDM4E
SCHEMBL7697200 0.82 TP53 (0.42) TP53MAPTALDH1A1TSHRKDM4E
SCHEMBL7694382 0.81 ALDH1A1 (0.39) TP53MAPTALDH1A1TSHRKDM4E
SCHEMBL7699807 0.80 ALDH1A1 (0.48) TP53MAPTALDH1A1TSHRKDM4E

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