SCHEMBL21884537

SCHEMBL21884537

COc1c(C)cccc1-c1c(C#N)ccc(O)c1C(=O)N=C1NCCN1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.31
PGR P06401 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL23854855 0.89 KDM4E (0.32) ARPGR
SCHEMBL23854872 0.89 HCRTR1 (0.34) ARPGRHCRTR1HCRTR2
SCHEMBL21884793 0.86 MEN1 (0.31)
SCHEMBL23854862 0.85 PGR (0.40) ARPGR
SCHEMBL21884532 0.83 PGR (0.35) ARPGR
SCHEMBL21884535 0.83 AR (0.35) ARPGR
SCHEMBL23854850 0.82 SCN9A (0.35) ARPGRHCRTR1HCRTR2
SCHEMBL23854839 0.81 MKNK1 (0.32)
SCHEMBL21884539 0.81 USP30 (0.34)
SCHEMBL21884531 0.81 PDK2 (0.32)

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