SCHEMBL9045529

SCHEMBL9045529

CCn1cc(OC(=O)O)c(=O)c2cnc(N3C[C@H]4CC=C[C@@H](NC)[C@H]4C3)c(Cl)c21

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.30
LMNA P02545 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL7854452 1.00 ENPP2 (0.30) ENPP2LMNACASP1
SCHEMBL7849611 0.92
SCHEMBL7854450 0.90 LMNA (0.39) ENPP2LMNACASP1
SCHEMBL8693329 0.90 LMNA (0.39) ENPP2LMNACASP1
SCHEMBL7851709 0.89
SCHEMBL7851421 0.88 ALDH1A1 (0.32)
SCHEMBL7852109 0.85
SCHEMBL7841766 0.84 LMNA (0.32) LMNA
SCHEMBL7849608 0.83 KDM4E (0.37) ENPP2LMNACASP1
SCHEMBL7850573 0.82 KDM4E (0.41) LMNA

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
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed