SCHEMBL6529772

SCHEMBL6529772

COC(=S)NCc1cn(-c2ccc(N3CCN(CC#N)CC3)c(F)c2)nn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.39
DRD3 P35462 7/20 0.39
NOTUM Q6P988 1/20 0.38
MIF P14174 3/20 0.37
MAPT P10636 1/20 0.37
DRD4 P21917 4/20 0.37
RXRA P19793 6/20 0.37
GRIN1 Q05586 6/20 0.37
GRIN2B Q13224 6/20 0.37

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
SCHEMBL6528400 0.89 DRD2 (0.34) DRD2DRD3NOTUMMIFDRD4
SCHEMBL6529463 0.86 NOTUM (0.40) NOTUMMIFMAPT
SCHEMBL5624221 0.85 MAOA (0.43) NOTUMMIFRXRAGRIN1GRIN2B
SCHEMBL5625153 0.85 KCNH2 (0.41) NOTUMMIFRXRAGRIN1GRIN2B
SCHEMBL5624086 0.84 MAOB (0.46) NOTUMMIFRXRAGRIN1GRIN2B
SCHEMBL6528567 0.84 MIF (0.42) NOTUMMIFRXRAGRIN1GRIN2B
SCHEMBL6528013 0.83 NOTUM (0.46) NOTUMMIF
SCHEMBL5625779 0.83 NOTUM (0.43) NOTUMMIFRXRAGRIN1GRIN2B
SCHEMBL14527196 0.83 NOTUM (0.41) NOTUMMIFRXRAGRIN1GRIN2B
SCHEMBL14527052 0.82 NOTUM (0.40) NOTUMMIFRXRAGRIN1GRIN2B

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