SCHEMBL4751693

SCHEMBL4751693

CCOC(=O)c1c(Oc2cc(C)c(C#N)c(C)c2)c(C2CC2)nn1CC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.39
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 3/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
FAAH O00519 1/20 0.35
MAPK1 P28482 2/20 0.34
BRAF P15056 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL4748841 0.91 ALDH1A1 (0.39) DHODHALDH1A1KDM4EMEN1LMNA
SCHEMBL4751035 0.90 ALDH1A1 (0.39) DHODHALDH1A1KDM4EMEN1LMNA
SCHEMBL4752262 0.90 ALDH1A1 (0.36) DHODHALDH1A1KDM4EMEN1LMNA
SCHEMBL14022462 0.88 ALDH1A1 (0.37) DHODHALDH1A1KDM4EMEN1LMNA
SCHEMBL14021476 0.87 KDM4E (0.36) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4748729 0.83 KDM4E (0.32) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL13889226 0.82 KDM4E (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4748844 0.79 PGR (0.38) DHODHKDM4EHSD17B10MAPTGPR119
SCHEMBL4751578 0.78 KDM4E (0.37) DHODHALDH1A1KDM4EMEN1LMNA
SCHEMBL4960690 0.78 PGR (0.35) ALDH1A1KDM4EMEN1LMNAKMT2A

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