SCHEMBL21780080

SCHEMBL21780080

Cc1csc(-c2ccc(OC/C(=C\F)CN)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 20/20 1.00

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
SCHEMBL21889035 1.00 AOC3 (1.00) AOC3
Trifluoroacetic Acid SCHEMBL28901229 0.92 AOC3 (0.84) AOC3
SCHEMBL28901237 0.85 AOC3 (0.74) AOC3
SCHEMBL21889010 0.81 AOC3 (1.00) AOC3
SCHEMBL21780070 0.81 AOC3 (0.67) AOC3
SCHEMBL25836053 0.80 AOC3 (0.67) AOC3
SCHEMBL21914594 0.80 AOC3 (0.66) AOC3
SCHEMBL23718679 0.79 AOC3 (0.65) AOC3
SCHEMBL23718680 0.79 AOC3 (0.65) AOC3
SCHEMBL21889291 0.78 AOC3 (0.63) AOC3

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-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed