SCHEMBL4246757

SCHEMBL4246757

Cc1nn2c(=O)n(Cc3ccccc3)c(C(O)C3CCC3)cc2c1Cl

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 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM4A O75164 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KIF11 P52732 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.35
BRD4 O60885 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PDE1B Q01064 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK1 P28482 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
SCHEMBL4251309 0.97 HPGD (0.41) HPGDALDH1A1C5AR1HTTKDM4E
SCHEMBL4247900 0.85 HPGD (0.44) HPGDALDH1A1C5AR1HTTKDM4E
SCHEMBL4247898 0.85 HPGD (0.44) HPGDALDH1A1C5AR1HTTKDM4E
SCHEMBL4248252 0.83 HPGD (0.44) HPGDALDH1A1C5AR1HTTKDM4E
SCHEMBL4248253 0.83 HPGD (0.44) HPGDALDH1A1C5AR1HTTKDM4E
SCHEMBL4250501 0.80 ALDH1A1 (0.40) HPGDALDH1A1C5AR1HTTKDM4E
SCHEMBL4244484 0.80 HPGD (0.41) HPGDALDH1A1C5AR1HTTKDM4E
SCHEMBL4244481 0.80 HPGD (0.41) HPGDALDH1A1C5AR1HTTKDM4E
SCHEMBL4247299 0.78 ALDH1A1 (0.50) HPGDALDH1A1C5AR1HTTKDM4E
SCHEMBL4252104 0.78 HPGD (0.41) HPGDALDH1A1C5AR1HTTKDM4E

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