SCHEMBL28984530

SCHEMBL28984530

CCc1cccc(Cn2c(=O)c3c(c4cccnc42)CCN(C(=O)O)C3)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 17/20 0.50
▸ PTGDR2 Q9Y5Y4 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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 0.91 ENPP2 (0.52) ENPP2PTGDR2MEN1KMT2A
SCHEMBL28984484 0.91 ENPP2 (0.50) ENPP2PTGDR2
SCHEMBL28984477 0.89 ENPP2 (0.61) ENPP2PTGDR2MEN1KMT2A
SCHEMBL28984478 0.89 ENPP2 (0.63) ENPP2
SCHEMBL28984471 0.89 ENPP2 (0.50) ENPP2
SCHEMBL28984482 0.89 PTGDR2 (0.52) ENPP2PTGDR2
SCHEMBL28984488 0.88 MAPT (0.55) ENPP2
SCHEMBL31119383 0.88 ENPP2 (0.49) ENPP2
SCHEMBL30130329 0.88 ENPP2 (0.49) ENPP2
SCHEMBL24915135 0.88 CLPP (0.49) ENPP2MEN1KMT2A

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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