SCHEMBL28580883

SCHEMBL28580883

CC(CC#N)COc1ccc(-c2nc(C(=O)O)cc(=O)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 17/20 0.44
XDH P47989 2/20 0.41

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
SCHEMBL28582832 0.89 MCL1 (0.37) XDH
SCHEMBL28574790 0.85 PDE2A (0.46) PDE2A
SCHEMBL28569175 0.76 XDH (0.55) XDH
SCHEMBL28587775 0.74 FFAR1 (0.53) XDH
SCHEMBL28577383 0.73 XDH (0.52) XDH
SCHEMBL28593871 0.72 PDE2A (0.38) PDE2AXDH
SCHEMBL28589437 0.70 ALDH1A1 (0.61) XDH
SCHEMBL27795558 0.70 TARBP2 (0.73) XDH
SCHEMBL18035933 0.70 PDE2A (0.60) PDE2A
SCHEMBL1535649 0.69 MAPK1 (0.60) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979559-A 2-phenyl pyrimidine formic acid derivative and preparation method and application thereof 沈阳药科大学 2021-06-18 CN claimed
CN-112979559-A 2-phenyl pyrimidine formic acid derivative and preparation method and application thereof 沈阳药科大学 2021-06-18 CN disclosed