SCHEMBL22424014

SCHEMBL22424014

COc1ccc(CNc2nc3c(c(=O)n2Cc2ccccc2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRLHR P49683 4/20 0.51
▸ LMNA P02545 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CLPP Q16740 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KCNK3 O14649 1/20 0.42
▸ HPGD P15428 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
SCHEMBL22424573 0.90 PRLHR (0.51) PRLHRLMNAALDH1A1GAAKMT2A
SCHEMBL22424568 0.89 PRLHR (0.51) PRLHRLMNAALDH1A1KMT2AMEN1
SCHEMBL22424571 0.89 PRLHR (0.51) PRLHRLMNAALDH1A1GAAKMT2A
SCHEMBL22424695 0.89 PRLHR (0.53) PRLHRLMNAALDH1A1GAASMN1; SMN2
SCHEMBL22424554 0.89 PRLHR (0.50) PRLHRLMNAKMT2AMAPTHPGD
SCHEMBL22424283 0.89 PRLHR (0.50) PRLHRLMNASMN1; SMN2CLPPKMT2A
SCHEMBL22423999 0.88 PRLHR (0.50) PRLHRLMNAALDH1A1GAAHTT
SCHEMBL22424229 0.88 PRLHR (0.52) PRLHRHDAC6GRM5
SCHEMBL22424687 0.87 PRLHR (0.49) PRLHRLMNAKMT2AMAPTTP53
SCHEMBL22424139 0.87 PRLHR (0.49) PRLHRLMNAALDH1A1SMN1; SMN2KMT2A

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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