SCHEMBL28445419

SCHEMBL28445419

O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(N2CCC(Nc3nnc(NC(=O)Cc4ccccc4)s3)CC2)nn1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 17/20 0.69
▸ KCNH2 Q12809 1/20 0.59

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
SCHEMBL28457076 0.91 GLS (0.57) GLSKCNH2
SCHEMBL28453811 0.89 GLS (0.60) GLS
SCHEMBL28457461 0.88 GLS (0.75) GLSKCNH2
SCHEMBL18358030 0.87 GLS (0.60) GLSKCNH2
SCHEMBL16880268 0.84 GLS (0.55) GLS
SCHEMBL30369307 0.83 GLS (0.57) GLS
SCHEMBL22006503 0.82 KCNH2 (0.80) GLSKCNH2
SCHEMBL16880212 0.82 GLS (0.73) GLS
SCHEMBL30369226 0.82 GLS (0.73) GLS
SCHEMBL16880177 0.82 GLS (0.73) GLS

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
CN-109503570-B Pharmaceutical composition containing sorafenib and application thereof 诺言医药科技(上海)有限公司 2020-08-25 — — CN disclosed
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