SCHEMBL30461576

SCHEMBL30461576

Nc1ccc(OCCF)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.43
MPO P05164 1/20 0.42
TPO P07202 1/20 0.42
EPX P11678 1/20 0.42
LPO P22079 1/20 0.42
MAPT P10636 1/20 0.41
LTA4H P09960 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
NCF1 P14598 6/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL28675571 1.00 APP (0.43) APPMPOTPOEPXLPO
SCHEMBL23634063 0.87 NCF1 (0.47) MPOTPOEPXLPOMAPT
SCHEMBL20037445 0.82 XDH (0.42) APPMPOTPOEPXLPO
SCHEMBL23634060 0.82 NCF1 (0.56) APPMPOTPOEPXLPO
SCHEMBL1920453 0.80 RAB9A (0.54) MPOTPOEPXLPOMAPT
SCHEMBL4156883 0.80 RAB9A (0.54) MAPTLTA4HALDH1A1
SCHEMBL3333555 0.78 NOS3 (0.42) MPOTPOEPXLPONOS3
SCHEMBL10279192 0.77 NOS3 (0.41) MPOTPOEPXLPOMAPT
SCHEMBL19796361 0.76 CHRNB2 (0.48)
SCHEMBL1758863 0.76 APP (0.41) APPMAPTALDH1A1

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
CN-113754679-B Substituted pyrimidinediones and their use 广东东阳光药业有限公司 2023-04-07 CN disclosed