SCHEMBL21884586

SCHEMBL21884586

C=C1CC=C(c2c(C#N)ccc(OCc3ccccc3)c2C(=O)N=C(SC)SC)C=N1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.38
MAOB P27338 1/20 0.33
VEGFA P15692 1/20 0.33

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
SCHEMBL23875122 0.78 XDH (0.43) XDH
SCHEMBL23875027 0.76 XDH (0.42) XDH
SCHEMBL21884784 0.75 XDH (0.41) XDHMAOB
SCHEMBL21884502 0.67 PTPN1 (0.41) XDH
SCHEMBL24066348 0.65 XDH (0.35) XDHMAOB
SCHEMBL21884509 0.65 XDH (0.60) XDHMAOB
SCHEMBL23875034 0.64 XDH (0.38) XDHMAOB
SCHEMBL24066320 0.64 XDH (0.50) XDHMAOB
SCHEMBL1534077 0.64 XDH (0.55) XDHMAOB
SCHEMBL21884801 0.63 XDH (0.52) XDHMAOB

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