SCHEMBL28457461

SCHEMBL28457461

O=C(Cc1ccccc1)Nc1nnc(NC2CCN(c3nnc(NC(=O)Cc4cccc(OC(F)(F)F)c4)s3)CC2)s1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 19/20 0.75
▸ 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
SCHEMBL28445419 0.88 GLS (0.69) GLSKCNH2
SCHEMBL17654132 0.87 GLS (1.00) GLS
SCHEMBL28457408 0.85 GLS (0.68) GLS
SCHEMBL22006503 0.83 KCNH2 (0.80) GLSKCNH2
SCHEMBL28452921 0.82 GLS (0.90) GLS
SCHEMBL28459085 0.82 GLS (0.66) GLS
SCHEMBL17654098 0.82 GLS (1.00) GLS
SCHEMBL17654173 0.81 GLS (1.00) GLS
SCHEMBL17654174 0.81 GLS (1.00) GLS
SCHEMBL17664624 0.81 GLS (1.00) 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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