SCHEMBL6926057

SCHEMBL6926057

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MIF P14174 9/20 0.48
NOTUM Q6P988 2/20 0.47
RXRA P19793 7/20 0.42
GRIN1 Q05586 7/20 0.42
GRIN2B Q13224 7/20 0.42
ALK Q9UM73 1/20 0.40
KDM1A O60341 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
SCHEMBL5924471 0.89 NOTUM (0.60) MIFNOTUMRXRAGRIN1GRIN2B
SCHEMBL6923527 0.88 KDM1A (0.49) MIFNOTUMRXRAGRIN1GRIN2B
SCHEMBL6926069 0.86 MIF (0.45) MIFNOTUMRXRAGRIN1GRIN2B
SCHEMBL5924503 0.83 MIF (0.43) MIFNOTUMRXRAGRIN1GRIN2B
SCHEMBL6505411 0.82 MAOB (0.48) MIFNOTUMRXRAGRIN1GRIN2B
SCHEMBL6926066 0.81 RXRA (0.41) MIFNOTUMRXRAGRIN1GRIN2B
SCHEMBL6532325 0.81 NOTUM (0.47) MIFNOTUMRXRAGRIN1GRIN2B
SCHEMBL5924402 0.78 KDM1A (0.45) MIFNOTUMRXRAGRIN1GRIN2B
SCHEMBL5924375 0.77 NOTUM (0.56) MIFNOTUMRXRAGRIN1GRIN2B
SCHEMBL5924173 0.76 MIF (0.45) MIFNOTUMRXRAGRIN1GRIN2B

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