SCHEMBL21884584

SCHEMBL21884584

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.49
MAOB P27338 1/20 0.44
FOLH1 Q04609 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.40

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
SCHEMBL21884585 0.86 XDH (0.41) XDHMAOB
SCHEMBL24066321 0.80 XDH (0.52) XDHMAOBFOLH1MRGPRX4
SCHEMBL1534077 0.78 XDH (0.55) XDHMAOBFOLH1MRGPRX4
SCHEMBL23874972 0.78 XDH (0.55) XDHMAOBFOLH1MRGPRX4
SCHEMBL23874985 0.77 XDH (0.52) XDHMAOBFOLH1MRGPRX4
SCHEMBL21884509 0.77 XDH (0.60) XDHMAOB
SCHEMBL5026568 0.72 XDH (0.71) XDHMAOBMRGPRX4
SCHEMBL21884652 0.71 MAOB (0.48) XDHMAOB
SCHEMBL23875025 0.70 XDH (0.53) XDHMRGPRX4
SCHEMBL6817642 0.70 MRGPRX4 (0.50) XDHMAOBMRGPRX4

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