SCHEMBL23905858

SCHEMBL23905858

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2cc(F)c(CO)nc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL23905303 1.00 CFTR (0.33) CFTRPOLBKMT2A
SCHEMBL23905742 0.95 CFTR (0.32) CFTRPOLBKMT2A
SCHEMBL25113852 0.94 CFTR (0.32) CFTRPOLBKMT2A
SCHEMBL23904748 0.93 CFTR (0.31) CFTRPOLBKMT2A
SCHEMBL25116737 0.92 CFTR (0.31) CFTR
SCHEMBL25114382 0.92 CFTR (0.31) CFTR
SCHEMBL25114301 0.91 CFTR (0.32) CFTRPOLBKMT2A
SCHEMBL23905282 0.91
SCHEMBL24986135 0.90 CFTR (0.33) CFTRPOLBKMT2A
SCHEMBL24986136 0.90 CFTR (0.33) CFTRPOLBKMT2A

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