SCHEMBL21037340

SCHEMBL21037340

CN(CCOC(=O)NCc1ccc(COc2nc(N)nc3[nH]cnc23)cc1)c1ccc(C#C/C=C(\C#N)C(O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.35
MGMT P16455 1/20 0.32

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
SCHEMBL21037844 0.90 PIN1 (0.35) PIN1MGMT
SCHEMBL21037356 0.87 PIN1 (0.35) PIN1MGMT
SCHEMBL21037018 0.85 PPARG (0.32) PIN1MGMT
SCHEMBL21036837 0.84 MAPT (0.34) PIN1
SCHEMBL21037282 0.82 MEN1 (0.37) PIN1MGMT
SCHEMBL21160730 0.82 PIN1 (0.37) PIN1MGMT
SCHEMBL24089602 0.80 PIN1 (0.30) PIN1
SCHEMBL21036809 0.80 PIN1 (0.36) PIN1MGMT
SCHEMBL21036808 0.78 MAPT (0.39) PIN1MGMT
SCHEMBL21036983 0.78 MAPT (0.38) PIN1MGMT

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