SCHEMBL5313183

SCHEMBL5313183

COc1ccccc1-c1c(C)nn(C(C)C)c(=O)c1C=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
SLC37A4 O43826 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFE2L2 Q16236 2/20 0.38
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
HIF1A Q16665 1/20 0.36
PLAT P00750 1/20 0.36
FYN P06241 1/20 0.35
NR1H3 Q13133 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5313180 1.00 PDE1A (0.43) PDE1APDE1BPDE1CSLC37A4TSHR
SCHEMBL5313219 0.87 LMNA (0.38) PDE1APDE1BPDE1CSLC37A4MAPT
SCHEMBL5313217 0.87 LMNA (0.38) PDE1APDE1BPDE1CSLC37A4MAPT
SCHEMBL5311055 0.84 SLC37A4 (0.37) PDE1APDE1BPDE1CSLC37A4MAPT
SCHEMBL5307655 0.82 NFE2L2 (0.41) PDE1APDE1BPDE1CNFE2L2
SCHEMBL5313885 0.82 NFE2L2 (0.42) PDE1APDE1BPDE1CSLC37A4TSHR
SCHEMBL5313884 0.82 NFE2L2 (0.42) PDE1APDE1BPDE1CSLC37A4TSHR
SCHEMBL5308913 0.78 BRD4 (0.38) KDM4EALDH1A1HPGDGLA
SCHEMBL14541733 0.77 FAAH (0.41) PDE1APDE1BPDE1CTSHRMAPT
SCHEMBL5308113 0.76 NFE2L2 (0.39) MAPTNFE2L2KDM4EALDH1A1

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-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed