SCHEMBL21036962

SCHEMBL21036962

CN(CCOCC(C)(C)C)c1ccc2nc(/C=C(\C#N)C(=O)O)oc2c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.38
SLC16A1 P53985 5/20 0.38

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
SCHEMBL21160609 0.85 SLC16A3 (0.41) SLC16A3SLC16A1
SCHEMBL22313629 0.80 SLC16A3 (0.43) SLC16A3SLC16A1
SCHEMBL21037855 0.78 APP (0.35) SLC16A3SLC16A1
SCHEMBL22314026 0.77 SLC16A3 (0.34) SLC16A3SLC16A1
SCHEMBL21037863 0.71 KMT2A (0.38)
SCHEMBL22313944 0.68 ALDH1A1 (0.37)
SCHEMBL22313660 0.68 ALDH1A1 (0.37)
SCHEMBL21037013 0.66 MAPT (0.48)
SCHEMBL21160459 0.65 MMP14 (0.39) SLC16A3SLC16A1
SCHEMBL21036961 0.65 MAPT (0.36)

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-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 EP disclosed