SCHEMBL8779780

SCHEMBL8779780

ClC(Cl)Sc1ccc(Sc2ccc(SC(Cl)Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
DDAH1 O94760 1/20 0.35
NOS1 P29475 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNA7 P36544 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL8779795 0.91 CYP2C9 (0.37) CYP2C9CYP2C19HSD17B10MMP2MMP8
SCHEMBL8779800 0.90 MAOA (0.45) NR1H2CYP3A4TSHRMAPK1MAOA
SCHEMBL8484321 0.81 CHRNA7 (0.39) CYP3A4MAPK1MAOAMAOBHPGD
SCHEMBL3896041 0.80 HSD17B10 (0.52) CYP3A4TSHRMAPK1MAOAMAOB
SCHEMBL8779807 0.78 CYP2A6 (0.42) MAPK1MAOAMAOBCYP2C9CYP2C19
SCHEMBL3901375 0.78 HPGD (0.43) TSHRMAPK1LMNAHPGDL3MBTL1
SCHEMBL9018796 0.78 NR1H2 (0.50) NR1H2CYP3A4TSHRLMNAHPGD
SCHEMBL8488661 0.78 IDO1 (0.39) CYP2C9CYP2C19HSD17B10MMP2MMP8
SCHEMBL3911663 0.77 SMN1; SMN2 (0.45) CYP3A4TSHRMAPK1MAOAMAOB
SCHEMBL14894782 0.74 SMN1; SMN2 (0.43) CYP3A4TSHRMAPK1MAOAMAOB

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