SCHEMBL8779725

SCHEMBL8779725

Clc1ccc(Cl)c(SC(Cl)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
CYP3A4 P08684 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 2/20 0.40
CYP2D6 P10635 2/20 0.40
MEN1 O00255 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
PLA2G1B P04054 2/20 0.40
ATG4B Q9Y4P1 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
RHEB Q15382 1/20 0.38
DRD2 P14416 1/20 0.36

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
SCHEMBL8485206 0.89 TP53 (0.35) TP53CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL9018797 0.82 ITGB2 (0.47) TP53CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL7268486 0.75 HPGD (0.58) TP53CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL224923 0.75 TP53 (0.52) TP53CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL10940318 0.73 TP53 (0.50) TP53CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL7828576 0.72 ALDH1A1 (0.44) TP53CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL9616010 0.72 HPGD (0.42) TP53CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL8488851 0.72 ITGB2 (0.40) TP53CYP3A4ALDH1A1HSD17B10HTT
SCHEMBL9018794 0.71 TSHR (0.43) CYP3A4ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL1145555 0.71 TP53 (0.48) TP53CYP3A4ALDH1A1HSD17B10HPGD

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-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed
EP-0742201-A1 PROCESS FOR PRODUCING AROMATIC OR HETEROAROMATIC SULFUR COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-13 EP disclosed