SCHEMBL6926069

SCHEMBL6926069

OC(=S)NCc1cn(-c2ccc(-n3cccc3)c(F)c2)nn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.45
RXRA P19793 12/20 0.43
GRIN1 Q05586 12/20 0.43
GRIN2B Q13224 12/20 0.43
NOTUM Q6P988 2/20 0.42
KCNH2 Q12809 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL5924503 0.88 MIF (0.43) MIFRXRAGRIN1GRIN2BNOTUM
SCHEMBL6923537 0.87 KDM1A (0.47) MIFRXRAGRIN1GRIN2BNOTUM
SCHEMBL5924471 0.86 NOTUM (0.60) MIFRXRAGRIN1GRIN2BNOTUM
SCHEMBL6926057 0.86 MIF (0.48) MIFRXRAGRIN1GRIN2BNOTUM
SCHEMBL6505423 0.82 MAOB (0.47) MIFRXRAGRIN1GRIN2BNOTUM
SCHEMBL5924396 0.79 KDM1A (0.47) MIFRXRAGRIN1GRIN2BNOTUM
SCHEMBL6532336 0.79 NOTUM (0.47) MIFRXRAGRIN1GRIN2BNOTUM
SCHEMBL6926066 0.78 RXRA (0.41) MIFRXRAGRIN1GRIN2BNOTUM
SCHEMBL5924168 0.78 NOTUM (0.45) MIFRXRAGRIN1GRIN2BNOTUM
SCHEMBL5924547 0.77 KDM1A (0.46) MIFRXRAGRIN1GRIN2BNOTUM

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-2004101531-A1 ANTIINFECTIVE 1,2,3-TRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-11-25 WO disclosed