SCHEMBL28984498

SCHEMBL28984498

O=C(O)N1CCc2c(c(=O)n(Cc3ccc(C(F)(F)F)cc3)c3ncccc23)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 17/20 0.55
▸ PTGDR2 Q9Y5Y4 1/20 0.52
▸ CLPP Q16740 1/20 0.47
▸ EP300 Q09472 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ KAT2A Q92830 1/20 0.44
▸ KAT2B Q92831 1/20 0.44

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
SCHEMBL28984505 0.89 ENPP2 (0.58) ENPP2
SCHEMBL28984516 0.89 ENPP2 (0.54) ENPP2PTGDR2
SCHEMBL28984477 0.89 ENPP2 (0.61) ENPP2PTGDR2
SCHEMBL28984499 0.88 ENPP2 (0.57) ENPP2PTGDR2CLPP
SCHEMBL30130288 0.88 ENPP2 (0.51) ENPP2PTGDR2
SCHEMBL24914400 0.88 CLPP (0.61) ENPP2PTGDR2CLPPEP300CREBBP
SCHEMBL28984491 0.87 ENPP2 (0.52) ENPP2CLPP
SCHEMBL28984486 0.87 ENPP2 (0.52) ENPP2PTGDR2
SCHEMBL28984474 0.87 ENPP2 (0.52) ENPP2PTGDR2
SCHEMBL28984535 0.85 PTGDR2 (0.53) ENPP2PTGDR2CLPP

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-115611896-A Compound containing tetralone or tetrahydropyridopyrimidone skeleton and preparation method and pharmaceutical application thereof 中国药科大学 2023-01-17 — — CN disclosed
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