SCHEMBL4751035

SCHEMBL4751035

CCOC(=O)c1c(Oc2cc(C)c(C#N)c(C)c2)c(C2CC2)nn1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DHODH Q02127 3/20 0.36
PDK1 Q15118 1/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
BTK Q06187 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
SCHEMBL4751693 0.90 DHODH (0.39) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL4752262 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL4748841 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL14022462 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL14021476 0.83 KDM4E (0.36) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL4751032 0.82 KDM4E (0.39) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL13889226 0.80 KDM4E (0.39) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL4752257 0.79 PDE10A (0.34) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL4751578 0.79 KDM4E (0.37) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL4098727 0.76 ALDH1A1 (0.34) ALDH1A1KDM4EKMT2AMEN1LMNA

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