SCHEMBL23905381

SCHEMBL23905381

C=C(c1cc2c(c(-c3ccc(F)cc3)n1)OCC2(C)COC(C)=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23904855 0.92 PTPN1 (0.31)
SCHEMBL23905327 0.91 CFTR (0.34) CFTRMAPTKMT2ASMN1; SMN2
SCHEMBL23904783 0.86 MAPT (0.34) CFTRMAPTKMT2ASMN1; SMN2
SCHEMBL23905463 0.86 CFTR (0.32) CFTR
SCHEMBL23905699 0.86 CFTR (0.32) CFTR
SCHEMBL23905325 0.84 MAPT (0.33) MAPTKMT2ASMN1; SMN2
SCHEMBL24363605 0.83 CFTR (0.33) CFTR
SCHEMBL23904858 0.83 CTSA (0.32) MAPTKMT2A
SCHEMBL23905731 0.81 MAPT (0.35) MAPTKMT2ASMN1; SMN2
SCHEMBL31412420 0.80 GRM2 (0.34) CFTR

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed