SCHEMBL28944693

SCHEMBL28944693

C=CC(=O)Oc1c(C)nn(C)c1-n1ccc2c(Cl)cccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
KRAS P01116 1/20 0.34
HSD11B1 P28845 1/20 0.32
RORC P51449 2/20 0.32
RARG P13631 1/20 0.32
PDE6D O43924 1/20 0.31
NR3C2 P08235 1/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
RAB9A P51151 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
SCHEMBL27772588 0.89 FABP4 (0.31) PDE6DKMT2A
SCHEMBL27772693 0.86 KMT2A (0.34) RORCRARGPDE6DMAPTPKM
SCHEMBL27772599 0.83 PDE6D (0.35) NOTUMPDE6DMAPTKMT2ARAB9A
SCHEMBL28781970 0.80 KMO (0.36) MAPTKMT2A
SCHEMBL27772708 0.79 HTT (0.35) KRASMAPTKMT2A
SCHEMBL27793932 0.77 MAPT (0.36) MAPTKMT2A
SCHEMBL27793982 0.77 RARG (0.36) RORCRARGPDE6DMAPTPKM
SCHEMBL28944692 0.76 MAPT (0.39) MAPT
SCHEMBL28781989 0.76 MKNK2 (0.34) MAPT
SCHEMBL28785086 0.76 CDC7 (0.35)

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
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN disclosed