SCHEMBL16613159

SCHEMBL16613159

CC(C)(C)OC(=O)ON1C(=O)[C@@H](NC(=O)O)Cc2cccc(Oc3cccc(C#N)c3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36
SLC6A4 P31645 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
RIPK1 Q13546 1/20 0.35
TBXA2R P21731 2/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EPAS1 Q99814 5/20 0.34
KDM4D Q6B0I6 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL9238137 0.82 SSTR4 (0.35) PYGLPYGMCCKBR
SCHEMBL6832251 0.79 RIPK1 (0.39) PYGLPYGMRIPK1EPAS1KDM4D
SCHEMBL31448421 0.76 PYGL (0.43) PYGLPYGMSLC6A4HRH3RIPK1
SCHEMBL9886180 0.75 EPHX2 (0.36) PYGLPYGMKDM4D
SCHEMBL3802539 0.74 CFTR (0.38) PYGLPYGMSLC6A4HRH3RIPK1
SCHEMBL3774235 0.73 HIF1A (0.36) PYGLPYGM
SCHEMBL5132913 0.71 KYAT1 (0.37) RIPK1EPAS1MGLL
SCHEMBL3777460 0.70 RIPK1 (0.36) RIPK1
SCHEMBL3777420 0.70 CCKBR (0.39) PYGLPYGMSLC6A4RIPK1CCKBR
SCHEMBL3779542 0.70 MEN1 (0.32) PYGLPYGMTP53CCKBR

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
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed