SCHEMBL22424550

SCHEMBL22424550

COc1ccc(CNc2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccc(Cl)c(C)c2)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 7/20 0.53
▸ PRLHR P49683 3/20 0.44
▸ GPR183 P32249 1/20 0.43
▸ TNKS O95271 3/20 0.43
▸ TNKS2 Q9H2K2 3/20 0.43
▸ PARP1 P09874 2/20 0.43
▸ PARP2 Q9UGN5 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ PDE9A O76083 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL22424333 0.94 CLPP (0.54) CLPPPRLHRHPGDHDAC6GRM5
SCHEMBL22424585 0.91 CLPP (0.52) CLPPPRLHRPARP1HDAC6GRM5
SCHEMBL22424586 0.91 CLPP (0.51) CLPPPRLHRTNKSTNKS2PARP1
SCHEMBL22424574 0.90 CLPP (0.51) CLPPPRLHRTNKSTNKS2PARP1
SCHEMBL22424217 0.90 CLPP (0.52) CLPPPRLHRHPGDHDAC6GRM5
SCHEMBL22424384 0.88 CLPP (0.51) CLPPPRLHRTNKSTNKS2PARP1
SCHEMBL22424577 0.88 CLPP (0.50) CLPPPRLHRTNKSTNKS2PARP1
SCHEMBL22424581 0.87 CLPP (0.52) CLPPPRLHRTNKSTNKS2PARP1
SCHEMBL22423946 0.85 CLPP (0.50) CLPPPRLHRPARP1HPGDGRM5
SCHEMBL22424698 0.84 CLPP (0.49) CLPPPRLHRTNKSTNKS2PARP1

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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