SCHEMBL23905469

SCHEMBL23905469

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3C)C(F)(F)F)cc2sc(CO)nc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 3/20 0.32
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL24363611 0.85 POLB (0.38) LMNATP53POLBKMT2A
SCHEMBL24345454 0.85 POLB (0.38) LMNATP53POLBKMT2A
SCHEMBL23905661 0.85 LMNA (0.33) LMNATP53POLBKMT2A
SCHEMBL23904817 0.82 LRRK2 (0.34) LMNATP53
SCHEMBL24363581 0.82 SLC5A7 (0.38) KMT2A
SCHEMBL23905470 0.80
SCHEMBL23905459 0.79 POLB (0.36) LMNAPOLBKMT2AROCK2ROCK1
SCHEMBL23905666 0.79 ROCK2 (0.33) POLBROCK2ROCK1
SCHEMBL23905701 0.78 AR (0.35) POLB
SCHEMBL23195596 0.76

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