SCHEMBL23905737

SCHEMBL23905737

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.32
GABRA5 P31644 4/20 0.32
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGFR P43088 2/20 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
SCHEMBL24987250 1.00 CFTR (0.32) CFTRGABRA5POLBKMT2APTGFR
SCHEMBL24985908 0.94 CFTR (0.33) CFTRGABRA5POLBKMT2A
SCHEMBL24985910 0.94 CFTR (0.33) CFTRGABRA5POLBKMT2A
SCHEMBL23905329 0.93 GABRA5 (0.32) CFTRGABRA5
SCHEMBL23905743 0.93 GABRA5 (0.32) CFTRGABRA5
SCHEMBL24986117 0.93 GABRA5 (0.34) CFTRGABRA5POLBKMT2A
SCHEMBL24986121 0.93 GABRA5 (0.34) CFTRGABRA5POLBKMT2A
SCHEMBL23905289 0.93 CFTR (0.32) CFTRGABRA5
SCHEMBL24988130 0.92 CFTR (0.32) CFTRGABRA5POLBKMT2A
SCHEMBL23905244 0.92 CFTR (0.32) CFTRGABRA5POLBKMT2A

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