SCHEMBL4965349

SCHEMBL4965349

CCC(O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
HTT P42858 2/20 0.44
POLB P06746 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD11B1 P28845 1/20 0.41
HSD17B2 P37059 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38

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
SCHEMBL4964870 0.90 KMT2A (0.49) KMT2AMEN1HTTPOLBRXFP1
SCHEMBL4963626 0.82 KMT2A (0.48) KMT2AMEN1HTTPOLBRXFP1
SCHEMBL4966843 0.82 L3MBTL1 (0.54) KMT2AMEN1POLBALDH1A1NPSR1
SCHEMBL4966027 0.81 KMT2A (0.74) KMT2AMEN1HTTPOLBALDH1A1
SCHEMBL4964624 0.81 KMT2A (0.46) KMT2AMEN1HTTPOLBRXFP1
SCHEMBL4964680 0.77 MEN1 (0.43) KMT2AMEN1ALDH1A1KDM4EHSD11B1
SCHEMBL4963643 0.76 ROCK1 (0.42) KMT2AMEN1ALDH1A1MCL1
SCHEMBL4964626 0.76 KMT2A (0.50) KMT2AMEN1POLBALDH1A1NPSR1
SCHEMBL4962571 0.75 HSD11B1 (0.54) KMT2AMEN1HTTPOLBHSD17B1
SCHEMBL4966176 0.75 HSD11B1 (0.54) KMT2AMEN1POLBHSD17B1HSD11B1

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