SCHEMBL6508465

SCHEMBL6508465

COC(=S)C(N)c1cn(-c2ccc(N3CCN(C(=O)C4CCCN4C(=O)OC(C)(C)C)CC3)c(F)c2)nn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
UCHL1 P09936 4/20 0.37
WNT3 P56703 2/20 0.37
SFRP1 Q8N474 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP30 Q70CQ3 1/20 0.37
GPR119 Q8TDV5 5/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6508470 0.84 MEN1 (0.40) HSD17B10HRH2HRH1UCHL1WNT3
SCHEMBL6530777 0.80 CA1 (0.38) MEN1KMT2AGPR119LMNA
SCHEMBL27340981 0.73 HSD17B10 (0.52) HSD17B10HRH2HRH1UCHL1WNT3
SCHEMBL29165097 0.73 HSD17B10 (0.52) HSD17B10HRH2HRH1UCHL1WNT3
SCHEMBL6527801 0.72 FFAR4 (0.32)
SCHEMBL5421653 0.69 MAOB (0.62) LMNA
SCHEMBL5421649 0.69 MAOB (0.62) LMNA
SCHEMBL6530200 0.68 NOTUM (0.41) LMNA
Hydrochloric Acid SCHEMBL30020106 0.66 HSD17B10 (0.43) HSD17B10HRH2HRH1UCHL1WNT3
SCHEMBL5483696 0.66 MAOB (0.55) LMNA

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
WO-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed