SCHEMBL23905820

SCHEMBL23905820

Cc1cc2cc(C(=O)NCC(c3cc4c(c(-c5ccc(F)c(C(F)(F)F)c5)n3)OC[C@]4(C)C(N)=O)C(F)(F)F)cc(OC3CC3)c2nn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
CNR2 P34972 1/20 0.31
MMP13 P45452 1/20 0.30
KLKB1 P03952 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
SCHEMBL23905982 0.85 EPHX2 (0.33) EPHX2CNR2KLKB1
SCHEMBL23905824 0.82
SCHEMBL24984825 0.81
SCHEMBL24987309 0.81
SCHEMBL23905337 0.80
SCHEMBL23904700 0.80
SCHEMBL23196124 0.79 NAMPT (0.33) KLKB1
SCHEMBL24985798 0.79 GABRA5 (0.32)
SCHEMBL23905588 0.78 CFTR (0.31)
SCHEMBL23905280 0.78

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