SCHEMBL8715778

SCHEMBL8715778

CCc1ccc(S(=O)(=O)Cc2nnc(Sc3nc4ccc(S(C)(=O)=O)cc4s3)n2-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CLK1 P49759 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL8033626 0.91 KMT2A (0.42) HTTSMN1; SMN2NPSR1KMT2ALMNA
SCHEMBL8043682 0.82 HTT (0.50) HTTSMN1; SMN2NPSR1KMT2ALMNA
SCHEMBL8047470 0.81 ALDH1A1 (0.40) HTTSMN1; SMN2NPSR1KMT2ALMNA
SCHEMBL8043221 0.80 PDK1 (0.44) HTTSMN1; SMN2NPSR1KMT2ALMNA
SCHEMBL8043930 0.78 KMT2A (0.44) HTTSMN1; SMN2NPSR1KMT2ALMNA
SCHEMBL8051030 0.77 HTT (0.43) HTTSMN1; SMN2KMT2ALMNATP53
SCHEMBL8041875 0.77 GPR84 (0.45) HTTSMN1; SMN2NPSR1KMT2ALMNA
SCHEMBL8044702 0.77 ALDH1A1 (0.44) HTTSMN1; SMN2KMT2ALMNATP53
SCHEMBL8043083 0.76 HTT (0.43) HTTSMN1; SMN2NPSR1KMT2ALMNA
SCHEMBL8051920 0.76 TSHR (0.51) HTTSMN1; SMN2NPSR1KMT2ALMNA

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-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed