SCHEMBL4748837

SCHEMBL4748837

CCOC(=O)c1[nH]nc(C2CCC2)c1Oc1cc(C)c(C#N)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HPGD P15428 1/20 0.35
IDH1 O75874 2/20 0.35
POLB P06746 1/20 0.34
RAPGEF4 Q8WZA2 5/20 0.34
ADORA3 P0DMS8 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL4751578 0.96 KDM4E (0.37) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL4751257 0.83 P2RY12 (0.37) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4751664 0.80 RAPGEF4 (0.33) RAPGEF4
SCHEMBL4789035 0.79 KDM4E (0.38) KDM4EALDH1A1LMNAKMT2AGLA
SCHEMBL4752256 0.78 AR (0.39) ALOX15HPGDGPR119
SCHEMBL14022462 0.76 ALDH1A1 (0.37) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL14021476 0.76 KDM4E (0.36) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL4751035 0.76 ALDH1A1 (0.39) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL4751023 0.76 KCNH2 (0.37) LMNARAPGEF4
SCHEMBL4105032 0.75 LRRK2 (0.37) LMNAPOLBRAPGEF4TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 WO disclosed