SCHEMBL27576232

SCHEMBL27576232

CC(C)(C)OC(=O)Nc1cnc(CCOC=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.41
CYP17A1 P05093 1/20 0.36
ATR Q13535 1/20 0.36
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
RORC P51449 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
AR P10275 1/20 0.35
NAMPT P43490 1/20 0.34
MAP4K4 O95819 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL6491966 0.83 MAPKAPK2 (0.47) MAPKAPK2CYP17A1ATRSTK17BSTK17A
SCHEMBL26640996 0.81 MAPKAPK2 (0.45) MAPKAPK2CYP17A1ATRRORCMAP4K4
SCHEMBL27576193 0.77 MAPKAPK2 (0.40) MAPKAPK2ATRRORCHDAC4HDAC1
SCHEMBL1010435 0.77 ATR (0.46) MAPKAPK2CYP17A1ATRSTK17BSTK17A
SCHEMBL6497617 0.77 MAPKAPK2 (0.41) MAPKAPK2CYP17A1ATRSTK17BSTK17A
SCHEMBL31221957 0.74 MAPKAPK2 (0.40) MAPKAPK2CYP17A1ATRSTK17BSTK17A
SCHEMBL18805715 0.74 RORC (0.53) MAPKAPK2CYP17A1ATRSTK17BSTK17A
SCHEMBL18839612 0.74 MAPKAPK2 (0.41) MAPKAPK2CYP17A1ATRSTK17BSTK17A
SCHEMBL27576229 0.73 LMNA (0.39) MAPKAPK2CYP17A1ATRRORC
Ethoxycarbonyl Group SCHEMBL27576231 0.73 NAMPT (0.40) MAPKAPK2CYP17A1ATRNAMPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1335847-A Sulfonamide compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-13 CN disclosed