SCHEMBL23905328

SCHEMBL23905328

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OC[C@]3(C)C(N)=O)C(F)F)cc2cc(Cl)cnc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.31
MAPT P10636 1/20 0.31
ALOX5 P09917 1/20 0.30
EPHX2 P34913 1/20 0.30
CNR1 P21554 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 1/20 0.30
MALT1 Q9UDY8 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
SCHEMBL25115989 0.90 PDE4B (0.32) CTSAMAPTALOX5EPHX2CNR1
SCHEMBL25116937 0.90 PDE4B (0.32) CTSAMAPTALOX5EPHX2CNR1
SCHEMBL23905733 0.88 PIK3CA (0.32) PIK3CA
SCHEMBL23904758 0.88 PIK3CA (0.32) PIK3CA
SCHEMBL23905265 0.86 IP6K1 (0.31) CNR1
SCHEMBL24987619 0.86 CFTR (0.32)
SCHEMBL24988130 0.86 CFTR (0.32)
SCHEMBL23905244 0.86 CFTR (0.32)
SCHEMBL25114706 0.85 RHOC (0.33) MAPTMALT1
SCHEMBL25114699 0.85 RHOC (0.33) MAPTMALT1

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