SCHEMBL23905869

SCHEMBL23905869

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cc(C)cnc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.32
PTGFR P43088 3/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCC1 P33527 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
SCHEMBL23904880 0.91 PTGFR (0.33) GABRA5PTGFRLMNATP53P2RX7
SCHEMBL23905675 0.90 PTGFR (0.32) PTGFRLMNATP53
SCHEMBL23905985 0.88 PTGFR (0.31) PTGFRLMNATP53
SCHEMBL23905547 0.88 LMNA (0.32) PTGFRLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL23905672 0.86
SCHEMBL23905889 0.85 PTGFR (0.33) PTGFRLMNATP53
SCHEMBL23905665 0.85 MAPT (0.33) PTGFRTP53
SCHEMBL23905865 0.84 GABRA5 (0.34) GABRA5ABCB1ABCC1
SCHEMBL23905315 0.84 GABRA5 (0.34) GABRA5ABCB1ABCC1
SCHEMBL23905641 0.83 LMNA (0.33) GABRA5LMNATP53P2RX7ALDH1A1

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