SCHEMBL23905665

SCHEMBL23905665

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cc(C)nnc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
PTGFR P43088 3/20 0.31
POLB P06746 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
TP53 P04637 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
SCHEMBL23905824 0.92
SCHEMBL23905959 0.92 MAPT (0.34) MAPTPOLBROCK2ROCK1TP53
SCHEMBL23905991 0.91 ROCK2 (0.32) MAPTROCK2ROCK1
SCHEMBL23905976 0.90 MAPT (0.32) MAPTROCK2ROCK1
SCHEMBL23905985 0.87 PTGFR (0.31) PTGFRTP53
SCHEMBL23905547 0.87 LMNA (0.32) PTGFRTP53
SCHEMBL23905869 0.85 GABRA5 (0.32) PTGFRTP53
SCHEMBL23905672 0.85
SCHEMBL23905675 0.85 PTGFR (0.32) PTGFRPOLBTP53
SCHEMBL23905664 0.85 MAPT (0.33) MAPTPOLBROCK2ROCK1TP53

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