SCHEMBL9869210

SCHEMBL9869210

Cn1cc([S+](C)[O-])c(=S)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SCN9A Q15858 11/20 0.34
SCN5A Q14524 7/20 0.34
GSK3B P49841 1/20 0.33
MAOB P27338 1/20 0.30

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
SCHEMBL7322441 0.84 KIF11 (0.41) KIF11SCN9ASCN5AGSK3B
SCHEMBL11401697 0.80 MAPT (0.32) ALDH1A1GSK3B
SCHEMBL9868199 0.75 KIF11 (0.43) KIF11ALDH1A1KDM4ESCN9ASCN5A
SCHEMBL11406579 0.72 HTR1D (0.39) ALDH1A1
SCHEMBL16729581 0.71 KIF11 (0.51) KIF11ALDH1A1KDM4ESCN9ASCN5A
SCHEMBL13806219 0.70 KIF11 (0.50) KIF11ALDH1A1KDM4ESCN9ASCN5A
SCHEMBL18580527 0.70 KIF11 (0.50) KIF11ALDH1A1KDM4ESCN9ASCN5A
SCHEMBL11069300 0.70 KIF11 (0.39) KIF11SCN9ASCN5AGSK3B
SCHEMBL11391905 0.69 HTR1D (0.43) KIF11ALDH1A1KDM4E
SCHEMBL15723828 0.68 KIF11 (0.47) KIF11ALDH1A1KDM4ESCN9ASCN5A

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-1991002724-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-03-07 WO disclosed