SCHEMBL7140715

SCHEMBL7140715

CS(=O)(=O)c1cc(Br)ccc1S(=O)(=O)Nc1nc(CC(=O)O)cs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
HSD11B1 P28845 3/20 0.43
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
CTPS1 P17812 2/20 0.43
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL3608648 0.88 KMT2A (0.49) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL3622234 0.86 KMT2A (0.45) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL3621786 0.85 ALDH1A1 (0.56) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL3610106 0.85 KDM4E (0.49) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL7145966 0.83 HSD11B1 (0.61) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL7093873 0.83 KMT2A (0.52) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL7134276 0.82 POLB (0.45) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL5692691 0.80 ALDH1A1 (0.58) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL5692890 0.79 ALDH1A1 (0.56) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL3612787 0.78 POLB (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO disclosed