SCHEMBL4718249

SCHEMBL4718249

COc1cccc(Cl)c1Cc1cc2cc3c(cc2nc1N)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 4/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.37
PGK1 P00558 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSP90AA1 P07900 2/20 0.36
THRB P10828 1/20 0.36
HSP90AB1 P08238 1/20 0.36
LCK P06239 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 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
SCHEMBL4718225 0.92 PDE10A (0.45) PDE10ASMN1; SMN2LMNAHTTALDH1A1
SCHEMBL3210986 0.87 PDE10A (0.42) PDE10ASMN1; SMN2LMNAHTTALDH1A1
SCHEMBL3215498 0.85 LMNA (0.43) PDE10ASMN1; SMN2LMNAHTTALDH1A1
SCHEMBL3218775 0.82 MAPT (0.41) SMN1; SMN2HTTALDH1A1NPSR1KDM4E
SCHEMBL3217299 0.82 TLR8 (0.54) PDE10AKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL3208073 0.80 PDE10A (0.39) PDE10AHTTALDH1A1MAPTL3MBTL1
SCHEMBL3219124 0.77 KDM4E (0.47) LMNAHTTALDH1A1HPGDKDM4E
SCHEMBL3203933 0.76 AKT1 (0.40) ALDH1A1MAPTPGK1L3MBTL1HSP90AA1
SCHEMBL3210074 0.76 TLR8 (0.41) SMN1; SMN2HTTALDH1A1KDM4EKMT2A
SCHEMBL3218819 0.76 NQO2 (0.42) KMT2AMEN1HSP90AA1HSP90AB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed