SCHEMBL23958737

SCHEMBL23958737

COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(F)c(-c3ccc(C(F)(F)F)cc3)n2)C2CC2)cc2cc(C)cnc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAPT P10636 1/20 0.34
SYK P43405 3/20 0.34
RORC P51449 1/20 0.34
SSTR5 P35346 1/20 0.33
PDE4B Q07343 2/20 0.33
CFTR P13569 2/20 0.33
ALOX5 P09917 3/20 0.32
EPHX2 P34913 3/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL25687227 1.00 POLB (0.35) POLBROCK2ROCK1MAPTSYK
SCHEMBL25687225 0.94 CFTR (0.35) ROCK2ROCK1MAPTCFTR
SCHEMBL25687293 0.93 POLB (0.34) POLBSYKSSTR5EPHX2
SCHEMBL30007202 0.93 POLB (0.34) POLBSYKSSTR5EPHX2
SCHEMBL23958649 0.93 POLB (0.34) POLBSYKSSTR5EPHX2
SCHEMBL25687231 0.92 CNR1 (0.39) ROCK2ROCK1MAPT
SCHEMBL25233253 0.92 CNR1 (0.39) ROCK2ROCK1MAPT
SCHEMBL30006737 0.92 CNR1 (0.39) ROCK2ROCK1MAPT
SCHEMBL25242930 0.91 GABRA5 (0.37) ROCK2ROCK1PDE4B
SCHEMBL30007933 0.91 GABRA5 (0.37) ROCK2ROCK1PDE4B

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed