SCHEMBL8779794

SCHEMBL8779794

CSc1ccc(Sc2ccc(SC)cc2C#N)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAOB P27338 9/20 0.43
MAOA P21397 8/20 0.43
CYP2C9 P11712 1/20 0.39
MCL1 Q07820 3/20 0.38
AR P10275 2/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL12126140 0.81 MAOB (0.57) MAOBMAOAARCYP11B1CYP11B2
SCHEMBL15973611 0.78 TSHR (0.45) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL6833247 0.76 CYP11B1 (0.46) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL15716037 0.76 MAOB (0.46) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL4875399 0.76 MAOA (0.46) MAPTKDM4EHPGDCYP1A2CYP3A4
SCHEMBL6831166 0.76 MAPT (0.40) MAPTKDM4EHPGDCYP1A2CYP3A4
SCHEMBL19095244 0.76 MAOB (0.39) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL13946937 0.76 MCL1 (0.47) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL8779810 0.76 KDM4E (0.47) MAPTKDM4EHPGDCYP1A2CYP3A4
SCHEMBL1020460 0.73 TSHR (0.45) MAPTKDM4EHPGDMEN1KMT2A

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