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SCHEMBL4734151

SCHEMBL4734151

CC(C)c1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.54
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 1/20 0.49
▸ CHEK1 O14757 2/20 0.48
▸ GPR3 P46089 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL17739606 0.88 GPR3 (0.57) MAOAMEN1KMT2AALDH1A1MAPT
SCHEMBL17694641 0.82 LMNA (0.48) ALDH1A1GPR3
SCHEMBL4730115 0.82 MEN1 (0.41) MAOAMEN1KMT2AALDH1A1MAPT
SCHEMBL12146999 0.81 GPR3 (0.57) MAOAMEN1KMT2AALDH1A1MAPT
SCHEMBL14087383 0.81 LMNA (0.52) MAOAMEN1KMT2AALDH1A1MAPT
SCHEMBL188872 0.79 ELANE (0.57) MAOAMEN1KMT2AALDH1A1MAPT
SCHEMBL31472931 0.78 GPR3 (0.75) MAOAMEN1KMT2AALDH1A1CHEK1
SCHEMBL472539 0.78 GPR3 (0.75) MAOAMEN1KMT2AALDH1A1CHEK1
SCHEMBL29368441 0.78 GPR3 (0.75) MAOAMEN1KMT2AALDH1A1CHEK1
SCHEMBL11635548 0.78 ELANE (0.58) MAOAMEN1KMT2AALDH1A1CHEK1

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-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 — — WO disclosed