SCHEMBL29982255

SCHEMBL29982255

O=C(NNC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CFTR P13569 11/20 0.68
IGF1R P08069 6/20 0.55
MET P08581 6/20 0.55
SRC P12931 3/20 0.55
MAOB P27338 1/20 0.54

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
SCHEMBL28674958 1.00 CFTR (0.68) CFTRIGF1RMETSRCMAOB
SCHEMBL29981450 0.89 IGF1R (0.71) CFTRIGF1RMETSRC
SCHEMBL28654859 0.89 IGF1R (0.71) CFTRIGF1RMETSRC
SCHEMBL29981145 0.86 IGF1R (0.73) CFTRIGF1RMETSRC
SCHEMBL28648880 0.86 IGF1R (0.73) CFTRIGF1RMETSRC
SCHEMBL17144814 0.81 CFTR (0.70) CFTRMAOB
SCHEMBL12707173 0.81 CFTR (0.61) CFTR
SCHEMBL396336 0.81 CFTR (0.66) CFTRMAOB
SCHEMBL398391 0.81 CFTR (1.00) CFTRMAOB
SCHEMBL24254359 0.80 CFTR (0.68) CFTRMAOB

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-113461612-B Quinolone tankyrase 2 inhibitor and preparation method and application thereof 上海应用技术大学 2022-10-14 CN disclosed