SCHEMBL28984486

SCHEMBL28984486

Cc1ccc(Cn2c(=O)c3c(c4cccnc42)CCN(C(=O)O)C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 13/20 0.52
▸ PTGDR2 Q9Y5Y4 1/20 0.52
▸ RXFP1 Q9HBX9 3/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL28984474 0.92 ENPP2 (0.52) ENPP2PTGDR2RXFP1MEN1KMT2A
SCHEMBL28984477 0.92 ENPP2 (0.61) ENPP2PTGDR2MEN1KMT2A
SCHEMBL28984499 0.91 ENPP2 (0.57) ENPP2PTGDR2
SCHEMBL28984491 0.90 ENPP2 (0.52) ENPP2
SCHEMBL28984505 0.90 ENPP2 (0.58) ENPP2
SCHEMBL28984516 0.90 ENPP2 (0.54) ENPP2PTGDR2
SCHEMBL28984535 0.89 PTGDR2 (0.53) ENPP2PTGDR2RXFP1
SCHEMBL28984484 0.89 ENPP2 (0.50) ENPP2PTGDR2RXFP1
SCHEMBL28984498 0.87 ENPP2 (0.55) ENPP2PTGDR2
SCHEMBL30130263 0.87 DDB1 (0.50) ENPP2PTGDR2RXFP1

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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