SCHEMBL21884585

SCHEMBL21884585

C=C(C=N)c1c(C#N)ccc(OCc2ccccc2)c1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.41
MAOB P27338 1/20 0.39
PTPN1 P18031 1/20 0.36

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
SCHEMBL21884584 0.86 XDH (0.49) XDHMAOB
SCHEMBL21884506 0.82 XDH (0.47) XDHMAOB
SCHEMBL21884589 0.81 XDH (0.46) XDHMAOBPTPN1
SCHEMBL21884495 0.80 XDH (0.47) XDHMAOBPTPN1
SCHEMBL23875124 0.72 XDH (0.45) XDH
SCHEMBL23875065 0.72 XDH (0.43) XDHMAOB
SCHEMBL6660069 0.71 MAPT (0.47) PTPN1
SCHEMBL23413759 0.70 MAOB (0.53) MAOB
SCHEMBL1534077 0.70 XDH (0.55) XDHMAOB
SCHEMBL23414364 0.69 TDP1 (0.45) MAOB

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
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed