SCHEMBL4249080

SCHEMBL4249080

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
▸ GRN P28799 1/20 0.38
▸ SORT1 Q99523 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ TSHR P16473 2/20 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
▸ MAPT P10636 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
SCHEMBL4251469 0.84 KDM4E (0.43) KDM4EALDH1A1NOTUMGRNSORT1
SCHEMBL4248798 0.81 KDM4E (0.40) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4248801 0.81 KDM4E (0.40) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4249182 0.81 KMT2A (0.51) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4249149 0.81 ALDH1A1 (0.43) KDM4EALDH1A1NOTUMTSHRHPGD
SCHEMBL4248183 0.80 ALDH1A1 (0.42) KDM4EALDH1A1NOTUMTSHRLMNA
SCHEMBL4247936 0.79 KDM4E (0.43) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4247933 0.79 KDM4E (0.43) KDM4EALDH1A1NOTUMBRAFTSHR
SCHEMBL4009041 0.71 ADORA3 (0.41) KDM4EALDH1A1BRAFTSHRLMNA
SCHEMBL4251448 0.71 ALDH1A1 (0.41) KDM4EALDH1A1NOTUMTSHRHPGD

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
Send feedback