SCHEMBL22424704

SCHEMBL22424704

COc1ccc(CNc2nc3c(c(=O)[nH]2)CC(c2ccc(F)cc2)N(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 6/20 0.45
▸ PDE9A O76083 3/20 0.40
▸ FABP4 P15090 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE5A O76074 1/20 0.36

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
SCHEMBL22424564 0.87 CLPP (0.49) CLPPPDE9AFABP4
SCHEMBL22424223 0.87 CLPP (0.49) CLPPPDE9AFABP4
SCHEMBL22424344 0.87 CLPP (0.49) CLPPPDE9AFABP4
SCHEMBL22424333 0.80 CLPP (0.54) CLPPPDE9A
SCHEMBL22424585 0.76 CLPP (0.52) CLPPPDE9A
SCHEMBL22424550 0.74 CLPP (0.53) CLPPPDE9AMEN1KMT2A
SCHEMBL22424217 0.73 CLPP (0.52) CLPPPDE9A
SCHEMBL22424384 0.72 CLPP (0.51) CLPPPDE9A
SCHEMBL22424574 0.72 CLPP (0.51) CLPPPDE9A
SCHEMBL22423998 0.69 CLPP (0.60) CLPP

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-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — WO disclosed
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