SCHEMBL4964034

SCHEMBL4964034

CCC(O)(CC)Cc1csc(NS(=O)(=O)c2cccc(F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 2/20 0.44
KDM1A O60341 5/20 0.41
MAOA P21397 3/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL4963088 0.87 KMT2A (0.63) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL4962604 0.83 KMT2A (0.49) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL4963626 0.82 KMT2A (0.48) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL4966843 0.82 L3MBTL1 (0.54) L3MBTL1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL3613737 0.80 ALDH1A1 (0.56) L3MBTL1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL4964911 0.79 KMT2A (0.44) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL27650005 0.79 KMT2A (0.77) L3MBTL1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL4964890 0.76 HSD11B1 (0.66) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL4964824 0.75 EPHX2 (0.49) ALDH1A1
SCHEMBL4964602 0.73 KMT2A (0.43) ALDH1A1KMT2AMEN1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP claimed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO claimed
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP disclosed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO disclosed