SCHEMBL23905406

SCHEMBL23905406

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 7/20 0.34
CFTR P13569 3/20 0.33
PDE4B Q07343 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
SSTR5 P35346 2/20 0.30
MAPT P10636 1/20 0.30
ULK1 O75385 1/20 0.30
KCNH2 Q12809 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
SCHEMBL25115993 0.92 GABRA5 (0.33) GABRA5CFTRPDE4BMAPT
SCHEMBL24988035 0.92 ALDH1A1 (0.32) GABRA5CFTRROCK2ROCK1POLB
SCHEMBL24345438 0.90 POLB (0.38) GABRA5CFTRROCK2ROCK1POLB
SCHEMBL23904908 0.87 MAPT (0.35) PDE4BROCK2ROCK1POLBSSTR5
SCHEMBL23905415 0.87 GABRA5 (0.32) GABRA5CFTR
SCHEMBL24988033 0.87 GABRA5 (0.35) GABRA5CFTRPOLBKMT2AMAPT
SCHEMBL23905841 0.85 GABRA5 (0.31) GABRA5
SCHEMBL23904864 0.85 GABRA5 (0.31) GABRA5
SCHEMBL25116014 0.85 GABRA5 (0.32) GABRA5SSTR5MAPTKCNH2
SCHEMBL23905718 0.85 CFTR (0.32) GABRA5CFTRMAPTULK1

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