SCHEMBL23905728

SCHEMBL23905728

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.34
CFTR P13569 3/20 0.33
RAF1 P04049 2/20 0.31
BRAF P15056 2/20 0.31
NR3C1 P04150 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL23905870 1.00 GABRA5 (0.34) GABRA5CFTRRAF1BRAFNR3C1
SCHEMBL23905868 1.00 GABRA5 (0.34) GABRA5CFTRRAF1BRAFNR3C1
SCHEMBL24988033 0.93 GABRA5 (0.35) GABRA5CFTR
SCHEMBL23905865 0.93 GABRA5 (0.34) GABRA5CFTRRAF1BRAF
SCHEMBL23905315 0.93 GABRA5 (0.34) GABRA5CFTRRAF1BRAF
SCHEMBL23905256 0.92 CFTR (0.34) GABRA5CFTR
SCHEMBL23905595 0.92 CFTR (0.34) GABRA5CFTR
SCHEMBL23905580 0.92 CFTR (0.32) GABRA5CFTR
SCHEMBL23905249 0.92 CFTR (0.33) GABRA5CFTRRAF1BRAFNR3C1
SCHEMBL23905541 0.92 CFTR (0.33) GABRA5CFTRRAF1BRAFNR3C1

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