SCHEMBL23905731

SCHEMBL23905731

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
G6PD P11413 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
SCHEMBL23905325 0.89 MAPT (0.33) MAPTSMN1; SMN2KMT2AABL1
SCHEMBL23904783 0.86 MAPT (0.34) MAPTSMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL23905730 0.84
SCHEMBL23905327 0.83 CFTR (0.34) MAPTSMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL23905381 0.81 CFTR (0.33) MAPTSMN1; SMN2KMT2A
SCHEMBL23904856 0.81 PTPN1 (0.31) ABL1ALDH1A1
SCHEMBL23904873 0.77
SCHEMBL23904760 0.76 ABL1 (0.31) ABL1ALDH1A1
SCHEMBL23905383 0.75 MEN1 (0.33) MAPTSMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL26525880 0.74 GRM2 (0.34) MAPTSMN1; SMN2KMT2AALDH1A1

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