SCHEMBL22423936

SCHEMBL22423936

COc1ccc(CNc2nc3c(c(=O)n2-c2ccccc2OC)CC(C)N(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ POLB P06746 1/20 0.40
▸ GRIN2C Q14957 1/20 0.39
▸ PRLHR P49683 2/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ KLK1 P06870 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL22424185 1.00 MAPT (0.40) MAPTPOLBGRIN2CPRLHRTACR1
SCHEMBL22424208 1.00 MAPT (0.40) MAPTPOLBGRIN2CPRLHRTACR1
SCHEMBL22424139 0.85 PRLHR (0.49) MAPTPOLBPRLHRTACR1SMN1; SMN2
SCHEMBL22410918 0.85 HSD11B1 (0.41) MAPTPOLBGRIN2CSMN1; SMN2ALDH1A1
SCHEMBL22424582 0.83 HSD11B1 (0.44) MAPTPOLBSMN1; SMN2ALDH1A1NPSR1
SCHEMBL22424544 0.80 PRLHR (0.49) MAPTPOLBPRLHRTACR1SMN1; SMN2
SCHEMBL22424564 0.80 CLPP (0.49) GRIN2CHPGD
SCHEMBL22424223 0.80 CLPP (0.49) GRIN2CHPGD
SCHEMBL22424344 0.80 CLPP (0.49) GRIN2CHPGD
SCHEMBL22423939 0.79 CLPP (0.38) MAPTPOLBTP53KLKB1KLK1

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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