SCHEMBL29544797

SCHEMBL29544797

CC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(CO)nc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CFD P00746 20/20 0.45

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
SCHEMBL18554877 1.00 CFD (0.45) CFD
SCHEMBL29544989 0.91 CFD (0.46) CFD
SCHEMBL18555055 0.91 CFD (0.46) CFD
SCHEMBL18554908 0.88 CFD (0.45) CFD
SCHEMBL29468402 0.88 CFD (0.54) CFD
SCHEMBL18549721 0.88 CFD (0.54) CFD
SCHEMBL29545676 0.88 CFD (0.45) CFD
SCHEMBL20488774 0.88 CFD (0.46) CFD
SCHEMBL18578537 0.87 CFD (0.45) CFD
SCHEMBL18578495 0.87 CFD (0.46) CFD

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-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 CN disclosed