SCHEMBL6625513

SCHEMBL6625513

CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
PKM P14618 1/20 0.50
ALDH1A1 P00352 5/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
SCN3A Q9NY46 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AKT1 P31749 1/20 0.45
IRS1 P35568 1/20 0.45
GAB1 Q13480 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL6623052 0.86 KMT2A (0.64) POLBPKMALDH1A1TSHRKMT2A
SCHEMBL3255841 0.86 SCN3A (0.49) SCN3AFFAR4
SCHEMBL6624588 0.84 KMT2A (0.64) POLBPKMALDH1A1TSHRKMT2A
SCHEMBL6615532 0.82 ALDH1A1 (0.52) POLBPKMALDH1A1TSHRKMT2A
SCHEMBL6625890 0.82 KMT2A (0.66) POLBPKMALDH1A1TSHRKMT2A
SCHEMBL27650153 0.80 POLB (0.78) POLBPKMALDH1A1KMT2AMEN1
SCHEMBL6624729 0.80 ALDH1A1 (0.51) POLBPKMALDH1A1TSHRKMT2A
SCHEMBL3256053 0.78 SCN3A (0.46) PKMALDH1A1KMT2AMEN1SCN3A
SCHEMBL3256465 0.77 KMT2A (0.47) PKMALDH1A1KMT2ASCN3AMAPT
SCHEMBL6625259 0.77 ALDH1A1 (0.53) POLBALDH1A1TSHRKMT2AMEN1

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