SCHEMBL23905945

SCHEMBL23905945

COc1cc(C(=O)NCC(CF)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)cc2cc(C)nnc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 6/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 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
SCHEMBL23905636 0.90 POLB (0.33) POLBKMT2AMAPTLMNATP53
SCHEMBL23905661 0.82 LMNA (0.33) PTGFRPOLBKMT2AMAPTLMNA
SCHEMBL23195972 0.79 TP53 (0.32) ROCK2ROCK1MAPTLMNATP53
SCHEMBL23904817 0.77 LRRK2 (0.34) LMNATP53
SCHEMBL24363611 0.77 POLB (0.38) PTGFRPOLBKMT2ALMNATP53
SCHEMBL24345454 0.77 POLB (0.38) PTGFRPOLBKMT2ALMNATP53
SCHEMBL23905812 0.76
SCHEMBL23905254 0.75 POLB (0.32) POLBKMT2AMAPTLMNATP53
SCHEMBL23905666 0.75 ROCK2 (0.33) ROCK2ROCK1POLBMAPT
SCHEMBL23905469 0.75 CXCR6 (0.32) ROCK2ROCK1POLBKMT2ALMNA

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