SCHEMBL4752256

SCHEMBL4752256

CCOC(=O)c1[nH]nc(C2CC2)c1Oc1ccc(C#N)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.39
PGR P06401 3/20 0.38
GPR119 Q8TDV5 1/20 0.37
KDR P35968 1/20 0.37
CYP11B2 P19099 1/20 0.37
DHODH Q02127 1/20 0.36
P2RY12 Q9H244 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL4751257 0.90 P2RY12 (0.37) ARGPR119DHODHP2RY12HPGD
SCHEMBL4751578 0.81 KDM4E (0.37) GPR119DHODHP2RY12HPGDALOX15
SCHEMBL4105299 0.78 AR (0.41) ARPGRHPGD
SCHEMBL4751633 0.78 AR (0.41) ARPGRHPGD
SCHEMBL4748837 0.78 KDM4E (0.36) GPR119HPGDALOX15
SCHEMBL4748870 0.77 PGR (0.40) ARPGRGPR119KDRCYP11B2
SCHEMBL4813064 0.74 KDM4E (0.37) ARPGRKDRCYP11B2MAP2K1
SCHEMBL1976965 0.72 HSD17B10 (0.42) DHODHHPGDALOX15
SCHEMBL4114557 0.71 AR (0.37) ARPGR
SCHEMBL17479599 0.70 CYP1A2 (0.44) HPGD

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