SCHEMBL23905666

SCHEMBL23905666

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3C)C(F)(F)F)cc2cc(C)cnc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
PPARD Q03181 4/20 0.32
PDE4B Q07343 2/20 0.32
MDM2 Q00987 2/20 0.32
SSTR5 P35346 1/20 0.31
ACSS2 Q9NR19 1/20 0.31
TDO2 P48775 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
RORC P51449 1/20 0.30
GCGR P47871 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
SCHEMBL23905651 0.93 ROCK2 (0.33) ROCK2ROCK1MAPTPPARDPDE4B
SCHEMBL23905464 0.92 ROCK2 (0.33) ROCK2ROCK1MAPTPPARDPDE4B
SCHEMBL23905459 0.90 POLB (0.36) ROCK2ROCK1MAPTPOLBACSS2
SCHEMBL23904817 0.85 LRRK2 (0.34)
SCHEMBL23905650 0.84 ADRA1D (0.33) ROCK2ROCK1MAPTPDE4BGCGR
SCHEMBL23904908 0.84 MAPT (0.35) ROCK2ROCK1MAPTPOLBPPARD
SCHEMBL24363611 0.84 POLB (0.38) POLB
SCHEMBL24345454 0.84 POLB (0.38) POLB
SCHEMBL23905661 0.82 LMNA (0.33) MAPTPOLB
SCHEMBL23905558 0.80 GABRA5 (0.31)

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