SCHEMBL4248798

SCHEMBL4248798

Cc1cc2cc(C(O)C(C)C)n(Cc3ccccc3)c(=O)n2n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NOTUM Q6P988 1/20 0.39
RAB9A P51151 1/20 0.38
BRAF P15056 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PSMD14 O00487 1/20 0.38
HTT P42858 1/20 0.38
PDE1B Q01064 1/20 0.38
MAPT P10636 1/20 0.37
C5AR1 P21730 1/20 0.36

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
SCHEMBL4248801 1.00 KDM4E (0.40) KDM4EALDH1A1NOTUMRAB9ABRAF
SCHEMBL4247933 0.86 KDM4E (0.43) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4247936 0.86 KDM4E (0.43) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4249080 0.81 KDM4E (0.40) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4249182 0.81 KMT2A (0.51) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4248253 0.79 HPGD (0.44) KDM4EALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL4248252 0.79 HPGD (0.44) KDM4EALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL4251434 0.78 HPGD (0.43) KDM4EALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL4251469 0.77 KDM4E (0.43) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4250639 0.77 KMT2A (0.39) KDM4EALDH1A1BRAFSMN1; SMN2KMT2A

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