SCHEMBL8779801

SCHEMBL8779801

N#Cc1c(Cl)cccc1SC(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DYRK1A Q13627 2/20 0.34
AR P10275 1/20 0.34
HSD11B1 P28845 1/20 0.34
GAA P10253 2/20 0.33
MPO P05164 1/20 0.33
NOTUM Q6P988 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL4138697 0.80 KDM4E (0.46) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL8494974 0.77 KDM4E (0.43) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
Dichlobenil SCHEMBL55606 0.75 ALDH1A1 (0.55) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
Dichlobenil SCHEMBL1701380 0.75 ALDH1A1 (0.55) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL9129444 0.74 CYP1A2 (0.57) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL9018794 0.73 TSHR (0.43) KDM4EALDH1A1L3MBTL1CYP3A4CYP2C9
SCHEMBL11326735 0.73 MAOA (0.44) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
Dichlobenil SCHEMBL10737856 0.73 ALDH1A1 (0.53) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
Dichlobenil SCHEMBL28232070 0.73 ALDH1A1 (0.53) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL6939635 0.71 CYP1A2 (0.48) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6

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