SCHEMBL23905558

SCHEMBL23905558

CC1COc2c1cc(C(CNC(=O)c1cc(OC3CC3)c3ncc(C(F)F)cc3c1)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.31
AR P10275 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL23905662 0.92 GABRA5 (0.31) GABRA5AR
SCHEMBL23905701 0.90 AR (0.35) AR
SCHEMBL23905464 0.88 ROCK2 (0.33)
SCHEMBL23905841 0.85 GABRA5 (0.31) GABRA5AR
SCHEMBL23904864 0.85 GABRA5 (0.31) GABRA5AR
SCHEMBL24363581 0.85 SLC5A7 (0.38)
SCHEMBL23905736 0.84 SLC5A7 (0.32) GABRA5AR
SCHEMBL23904817 0.83 LRRK2 (0.34) GABRA5LMNATP53
SCHEMBL23905426 0.83 AR (0.34) AR
SCHEMBL23905661 0.83 LMNA (0.33) GABRA5LMNATP53

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