SCHEMBL25244160

SCHEMBL25244160

C[S+]([O-])c1nc(C#N)cc(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ AR P10275 1/20 0.32
▸ CTSS P25774 1/20 0.31

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
SCHEMBL25991641 0.72 TAS2R14 (0.39) TAS2R14KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL21614639 0.70 HSP90AA1 (0.40) TAS2R14KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL20399842 0.70 KDM4E (0.41) TAS2R14KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL602851 0.70 ALDH1A1 (0.37) TAS2R14KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL601855 0.70 CYP2C19 (0.40) TAS2R14KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL29976642 0.68 KDM4E (0.63) KDM4ELMNA
SCHEMBL19805666 0.68 KDM4E (0.63) KDM4ELMNA
SCHEMBL24027397 0.68 CTSS (0.36) TAS2R14KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL3101735 0.67 NT5E (0.38) TAS2R14KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL23580667 0.67 HSP90AA1 (0.40) TAS2R14KDM4ELMNAHSP90AA1HSP90AB1

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-2023130070-A2 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
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