SCHEMBL8779790

SCHEMBL8779790

N#Cc1cc(S(=O)(=O)Cl)ccc1Sc1ccc(S(=O)(=O)Cl)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
XDH P47989 1/20 0.33
EPAS1 Q99814 3/20 0.33
TRPV4 Q9HBA0 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
VEGFA P15692 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL8779806 0.82 MAPT (0.39) KDM4EMAPTHPGDCYP1A2CYP3A4
SCHEMBL1941288 0.81 EPAS1 (0.41) MEN1KMT2AALDH1A1HSD17B10TDP1
SCHEMBL1939729 0.78 VCAM1 (0.51) MEN1KMT2AALDH1A1EPAS1TRPV4
SCHEMBL30540035 0.76 TSHR (0.41) KDM4EMAPTHPGDCYP3A4CYP2C19
SCHEMBL20870724 0.76 XDH (0.40) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL25366711 0.76 TSHR (0.41) KDM4EMAPTHPGDCYP3A4CYP2C19
SCHEMBL320675 0.76 GRM4 (0.38) MEN1KMT2AALDH1A1HSD17B10TDP1
SCHEMBL29814208 0.76 XDH (0.40) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL319459 0.76 ACLY (0.47) EPAS1TRPV4VEGFAACLY
SCHEMBL31591563 0.76 GRM4 (0.38) MEN1KMT2AALDH1A1HSD17B10TDP1

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