SCHEMBL4244481

SCHEMBL4244481

CCC(C)C(O)c1cc2c(Cl)c(C)nn2c(=O)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
C5AR1 P21730 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KDM4A O75164 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
PDE5A O76074 2/20 0.35
PDE1B Q01064 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4244484 1.00 HPGD (0.41) HPGDALDH1A1C5AR1KDM4EKDM4A
SCHEMBL4248253 0.90 HPGD (0.44) HPGDALDH1A1C5AR1KDM4EKDM4A
SCHEMBL4248252 0.90 HPGD (0.44) HPGDALDH1A1C5AR1KDM4EKDM4A
SCHEMBL4247898 0.88 HPGD (0.44) HPGDALDH1A1C5AR1KDM4EKDM4A
SCHEMBL4247900 0.88 HPGD (0.44) HPGDALDH1A1C5AR1KDM4EKDM4A
SCHEMBL4251309 0.81 HPGD (0.41) HPGDALDH1A1C5AR1KDM4EKDM4A
SCHEMBL4251448 0.80 ALDH1A1 (0.41) HPGDALDH1A1C5AR1KDM4EKDM4A
SCHEMBL4246757 0.80 HPGD (0.41) HPGDALDH1A1C5AR1KDM4EKDM4A
SCHEMBL4247299 0.79 ALDH1A1 (0.50) HPGDALDH1A1C5AR1KDM4EKDM4A
SCHEMBL4251307 0.79 MEN1 (0.35) HPGDALDH1A1C5AR1KDM4EKDM4A

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-2035426-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2009-03-18 EP disclosed
WO-2007144384-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2007-12-21 WO disclosed