SCHEMBL28668359

SCHEMBL28668359

NC1(c2ccco2)C=CC=CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL8039521 0.72 PNMT (0.39)
SCHEMBL7117350 0.68 CHRM1 (0.31) CHRM1
SCHEMBL2141410 0.67
SCHEMBL28645534 0.67 ALDH1A1 (0.38)
SCHEMBL8107434 0.66 TAAR1 (0.34)
Methane SCHEMBL28540585 0.65 ALDH1A1 (0.36)
SCHEMBL29187565 0.65 CYP2A6 (0.32)
SCHEMBL17727866 0.63 ALDH1A1 (0.34)
SCHEMBL28649220 0.63 CHRM2 (0.34) CHRM1
SCHEMBL28668392 0.63 SLC6A3 (0.41)

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-108043441-B Application of carbon-supported ruthenium nano material in catalyzing reaction of aromatic amine and aromatic methanol 苏州大学 2021-09-28 CN disclosed