SCHEMBL23905547

SCHEMBL23905547

COc1cc(C(=O)NC[C@H](c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cc(C(F)F)nnc12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
PTGFR P43088 3/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL23905985 0.92 PTGFR (0.31) LMNATP53PTGFR
SCHEMBL23905672 0.92
SCHEMBL23905675 0.89 PTGFR (0.32) LMNATP53PTGFR
SCHEMBL23905869 0.88 GABRA5 (0.32) LMNATP53PTGFRALDH1A1SMN1; SMN2
SCHEMBL23905665 0.87 MAPT (0.33) TP53PTGFR
SCHEMBL23905889 0.85 PTGFR (0.33) LMNATP53PTGFR
SCHEMBL23904880 0.85 PTGFR (0.33) LMNATP53PTGFRALDH1A1SMN1; SMN2
SCHEMBL23905779 0.85
SCHEMBL23905991 0.85 ROCK2 (0.32)
SCHEMBL23905254 0.84 POLB (0.32) LMNATP53ALDH1A1SMN1; SMN2

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