SCHEMBL23905327

SCHEMBL23905327

CC(=O)OCC1(C)COc2c1cc(C(=O)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAP2K4 P45985 1/20 0.30
KCNH2 Q12809 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
GAA P10253 1/20 0.30
G6PD P11413 1/20 0.30
CTSA P10619 1/20 0.30
F2RL1 P55085 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
SCHEMBL23904858 0.92 CTSA (0.32) MAPTKMT2AALDH1A1L3MBTL1CTSA
SCHEMBL23905381 0.91 CFTR (0.33) CFTRMAPTSMN1; SMN2KMT2A
SCHEMBL23904783 0.88 MAPT (0.34) CFTRMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL23905462 0.87 CFTR (0.36) CFTRMAP2K4KCNH2PTGDR2CTSA
SCHEMBL23904802 0.87 CFTR (0.36) CFTRMAP2K4KCNH2PTGDR2
SCHEMBL23905444 0.87 ALDH1A1 (0.32) CFTRALDH1A1L3MBTL1GABRA2GABRB2
SCHEMBL23905330 0.87 CFTR (0.31) CFTR
SCHEMBL23904768 0.86 CFTR (0.31) CFTRPTGDR2
SCHEMBL23905325 0.85 MAPT (0.33) MAPTSMN1; SMN2KMT2A
SCHEMBL23905731 0.83 MAPT (0.35) MAPTSMN1; SMN2KMT2AALDH1A1GAA

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