SCHEMBL6615532

SCHEMBL6615532

CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccc(C(C)C)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.48
PKM P14618 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
AKT1 P31749 1/20 0.47
IRS1 P35568 1/20 0.47
GAB1 Q13480 1/20 0.47
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6624588 0.89 KMT2A (0.64) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL6623052 0.87 KMT2A (0.64) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL3563075 0.85 PFKFB4 (0.44) ALDH1A1KMT2AMEN1AKT1IRS1
SCHEMBL6625890 0.84 KMT2A (0.66) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL6624729 0.84 ALDH1A1 (0.51) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL6625513 0.82 POLB (0.51) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL6625259 0.81 ALDH1A1 (0.53) ALDH1A1TSHRKMT2AMEN1CYP2C9
SCHEMBL6625022 0.80 ALDH1A1 (0.55) ALDH1A1TSHRKMT2AMEN1CYP2C9
SCHEMBL11372035 0.79 ALDH1A1 (0.59) ALDH1A1TSHRKMT2AMEN1CYP2C9
SCHEMBL6626147 0.79 HTT (0.59) ALDH1A1TSHRKMT2AMEN1CYP2C9

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-1461325-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP claimed
WO-2003043999-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO claimed