SCHEMBL9013799

SCHEMBL9013799

CSc1ccc(-c2nsnc2SC#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYC P01106 9/20 0.35
WDR5 P61964 9/20 0.35
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MAPK13 O15264 2/20 0.32
GCGR P47871 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 0.32
MAPK14 Q16539 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL8789633 0.81 MYC (0.50) MYCWDR5ALDH1A1MAPTKDM4E
SCHEMBL8788935 0.81 MYC (0.50) MYCWDR5ALDH1A1
SCHEMBL8789881 0.81 MYC (0.50) MYCWDR5ALDH1A1HPGD
SCHEMBL8789362 0.80 ERBB2 (0.40) MYCWDR5ALDH1A1MAPK14KDM4E
SCHEMBL8792575 0.78 PTGS2 (0.41) MYCWDR5PTGS1PTGS2
SCHEMBL8790492 0.77 MYC (0.53) MYCWDR5KDM4E
SCHEMBL9013737 0.75 MYC (0.40) MYCWDR5ALDH1A1MAPTKDM4E
SCHEMBL8789377 0.71 IDO1 (0.42) ALDH1A1MAPTCYP11B1CYP11B2KDM4E
SCHEMBL8789920 0.70 ADORA1 (0.44) MYCWDR5KDM4ETSHR
SCHEMBL19605694 0.69 MAPT (0.58) ALDH1A1MAPT

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
WO-1996019467-A1 SUBSTITUTED THIADIAZOLES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS THE DOW CHEMICAL COMPANY (US) 1996-06-27 WO disclosed
US-5488060-A Substituted thiadiazoles, compositions containing them and their use as antimicrobial and marine antifouling agents THE DOW CHEMICAL COMPANY (US) 1996-01-30 US disclosed