SCHEMBL28984484

SCHEMBL28984484

Cc1cccc(Cn2c(=O)c3c(c4cccnc42)CCN(C(=O)O)C3)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 16/20 0.50
▸ TP53 P04637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL28984530 0.91 ENPP2 (0.50) ENPP2PTGDR2
SCHEMBL28984486 0.89 ENPP2 (0.52) ENPP2PTGDR2RXFP1
SCHEMBL28984477 0.89 ENPP2 (0.61) ENPP2PTGDR2
SCHEMBL28984471 0.89 ENPP2 (0.50) ENPP2
SCHEMBL28984482 0.89 PTGDR2 (0.52) ENPP2TP53PTGDR2
SCHEMBL28984478 0.89 ENPP2 (0.63) ENPP2MAPT
SCHEMBL28984488 0.88 MAPT (0.55) ENPP2MAPT
SCHEMBL31119382 0.88 ENPP2 (0.49) ENPP2TP53LMNA
SCHEMBL30130173 0.88 ENPP2 (0.49) ENPP2TP53LMNA
SCHEMBL24914417 0.88 DRD2 (0.50) ENPP2

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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