SCHEMBL19407724

SCHEMBL19407724

COc1cc(C(C)C)c(NS(=O)(=O)c2ccc(C)cc2)cc1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 4/20 0.52
LMNA P02545 4/20 0.52
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALOX15 P16050 1/20 0.48
FFAR4 Q5NUL3 1/20 0.46
THRB P10828 1/20 0.45
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
CXCR2 P25025 1/20 0.44
AGTR1 P30556 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR6 P50406 1/20 0.43
CYP2C9 P11712 2/20 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
SCHEMBL19364120 0.85 ALDH1A1 (0.54) GAAHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL19407720 0.84 GAA (0.53) GAAHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL1494233 0.78 CNR1 (0.40) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL19364119 0.78 GAA (0.64) GAAHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL2484392 0.77 GFER (0.45) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL18331907 0.74 ALDH1A1 (0.54) GAAHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL10003032 0.74 FFAR4 (0.48) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL13848365 0.74 ALDH1A1 (0.61) GAAHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL8752466 0.74 ALDH1A1 (0.70) ALDH1A1LMNAKMT2AMEN1FFAR4
SCHEMBL28597349 0.72 FFAR4 (0.66) GAAALDH1A1LMNAKMT2AMEN1

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
WO-2017165255-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2017-09-28 WO disclosed