SCHEMBL23905959

SCHEMBL23905959

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.33
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
POLB P06746 1/20 0.30
GCGR P47871 1/20 0.30
GIPR P48546 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
SCHEMBL23905254 0.93 POLB (0.32) MAPTTP53POLB
SCHEMBL23905665 0.92 MAPT (0.33) MAPTTP53POLBROCK2ROCK1
SCHEMBL23905961 0.90 MAPT (0.32) MAPTTP53ADRA1DADRA1AADRA1B
SCHEMBL23905976 0.90 MAPT (0.32) MAPTADRA1DADRA1AADRA1BROCK2
SCHEMBL23905824 0.85
SCHEMBL23905664 0.84 MAPT (0.33) MAPTTP53POLBROCK2ROCK1
SCHEMBL23905637 0.83 P2RX7 (0.31) POLB
SCHEMBL23905655 0.83 ADRA1D (0.31) MAPTADRA1DADRA1AADRA1BROCK2
SCHEMBL23905991 0.83 ROCK2 (0.32) MAPTROCK2ROCK1
SCHEMBL23905641 0.82 LMNA (0.33) TP53POLB

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