SCHEMBL4247933

SCHEMBL4247933

CCC(O)c1cc2cc(C)nn2c(=O)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
PLCG1 P19174 1/20 0.39
PAX8 Q06710 1/20 0.39
NOTUM Q6P988 1/20 0.39
MAPK8 P45983 1/20 0.38
BRAF P15056 1/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
PSMD14 O00487 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE1B Q01064 1/20 0.38
TP53 P04637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL4247936 1.00 KDM4E (0.43) KDM4EALDH1A1TDP2NSD2PLCG1
SCHEMBL4248801 0.86 KDM4E (0.40) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4248798 0.86 KDM4E (0.40) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4249182 0.81 KMT2A (0.51) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4251469 0.80 KDM4E (0.43) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4247900 0.79 HPGD (0.44) KDM4EALDH1A1TDP2NSD2PLCG1
SCHEMBL4247898 0.79 HPGD (0.44) KDM4EALDH1A1TDP2NSD2PLCG1
SCHEMBL4249080 0.79 KDM4E (0.40) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4251287 0.78 KMT2A (0.39) KDM4EALDH1A1NSD2SMN1; SMN2MEN1
SCHEMBL4251290 0.78 KMT2A (0.39) KDM4EALDH1A1NSD2SMN1; SMN2MEN1

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