SCHEMBL13769253

SCHEMBL13769253

COC(=O)Cc1cccc(-c2ccc(-c3nc(N)c(C)nc3C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
TLR7 Q9NYK1 4/20 0.43
SLC7A5 Q01650 1/20 0.43
DHFR P00374 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
DGAT1 O75907 4/20 0.41
CFD P00746 1/20 0.40
SOAT1 P35610 2/20 0.39

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
SCHEMBL13769256 0.89 MAPK1 (0.42) SYKTLR7DHFRVDRPPARD
SCHEMBL13769817 0.88 DGAT1 (0.52) TLR7ALDH1A1GAAGFERDGAT1
SCHEMBL5533628 0.83 SYK (0.42) SYKTLR7SLC7A5CYP11B1CYP11B2
SCHEMBL13769816 0.80 CA12 (0.54) DHFR
SCHEMBL1929079 0.77 SLC7A5 (0.57) SYKSLC7A5NPC1PKMHPGD
SCHEMBL14759025 0.76 CYP11B1 (0.54) SYKSLC7A5CYP11B1CYP11B2NPC1
SCHEMBL13433607 0.76 HSP90AB1 (0.53) SYKSLC7A5CYP11B1CYP11B2NPC1
SCHEMBL3357160 0.75 SLC7A5 (0.56) SYKSLC7A5NPC1PKMHPGD
SCHEMBL13460869 0.74 SLC7A5 (0.49) SYKSLC7A5CYP11B1CYP11B2NPC1
SCHEMBL3930520 0.74 PRKCI (0.57) SYKSLC7A5CYP11B1CYP11B2NPC1

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-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed