SCHEMBL22424504

SCHEMBL22424504

COc1ccc(C(CCO)Nc2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRLHR P49683 8/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MTHFD2 P13995 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CLPP Q16740 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ NPC1 O15118 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
SCHEMBL22424333 0.83 CLPP (0.54) PRLHRHDAC6CLPP
SCHEMBL22424705 0.81 MTHFD2 (0.45) PRLHRMAPK1MTHFD2CLPP
SCHEMBL22424334 0.81 HPGD (0.46) PRLHRMAPK1MTHFD2CLPP
SCHEMBL22424550 0.77 CLPP (0.53) PRLHRHDAC6MAPTMEN1ALDH1A1
SCHEMBL22424557 0.77 MTHFD2 (0.40) MAPK1HDAC6MTHFD2HTR1AMAPT
SCHEMBL22424217 0.76 CLPP (0.52) PRLHRHDAC6CLPP
SCHEMBL22424585 0.76 CLPP (0.52) PRLHRHDAC6CLPP
SCHEMBL22424526 0.76 MTHFD2 (0.42) PRLHRHDAC6MTHFD2HTR1AMAPT
SCHEMBL22424384 0.75 CLPP (0.51) PRLHRHDAC6MAPTCLPP
SCHEMBL22424053 0.74 MTHFD2 (0.52) MTHFD2

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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