SCHEMBL4964870

SCHEMBL4964870

CCC(O)CCc1csc(NS(=O)(=O)c2ccc(F)cc2C)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD11B1 P28845 1/20 0.39
HSD17B2 P37059 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4965349 0.90 KMT2A (0.51) KMT2AMEN1POLBRXFP1ALDH1A1
SCHEMBL4964624 0.83 KMT2A (0.46) KMT2AMEN1POLBRXFP1ALDH1A1
SCHEMBL4966027 0.82 KMT2A (0.74) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL4963626 0.80 KMT2A (0.48) KMT2AMEN1POLBRXFP1ALDH1A1
SCHEMBL3614411 0.73 KMT2A (0.74) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL3617306 0.72 KMT2A (0.55) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL27630054 0.72 KMT2A (0.72) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL4966843 0.72 L3MBTL1 (0.54) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL7178241 0.71 LMNA (0.49) KMT2AMEN1POLBHTTLMNA
SCHEMBL3614497 0.70 KMT2A (0.53) KMT2AMEN1POLBALDH1A1CYP2C9

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