SCHEMBL24397663

SCHEMBL24397663

CCO/N=C(\N)c1ccc(SCc2ccc(C(C)(C)C(C)C)cc2)c(-c2nc3cc(C(F)(F)F)ccc3n2C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.36
F10 P00742 3/20 0.36
PLG P00747 2/20 0.36
AGPAT2 O15120 1/20 0.35
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
AR P10275 1/20 0.32
ACACB O00763 1/20 0.32
CNR2 P34972 4/20 0.31
CNR1 P21554 1/20 0.31
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
RORC P51449 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
SCHEMBL24397673 0.93 F2 (0.38) F2F10PLGAGPAT2KDM4E
SCHEMBL26624927 0.93 F2 (0.38) F2F10PLGAGPAT2KDM4E
SCHEMBL30547376 0.93 F2 (0.38) F2F10PLGAGPAT2KDM4E
SCHEMBL24397661 0.82 JAK2 (0.37) F2F10PLGAGPAT2KDM4E
SCHEMBL30547367 0.82 JAK2 (0.37) F2F10PLGAGPAT2KDM4E
SCHEMBL26624943 0.82 JAK2 (0.37) F2F10PLGAGPAT2KDM4E
SCHEMBL24397671 0.79 F2 (0.35) F2F10PLGAGPAT2KDM4E
SCHEMBL30547365 0.79 F2 (0.35) F2F10PLGAGPAT2KDM4E
SCHEMBL26624874 0.79 F2 (0.35) F2F10PLGAGPAT2KDM4E
SCHEMBL29043824 0.76 AGPAT2 (0.42) F2F10PLGAGPAT2KDM4E

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-2022092180-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND HAVING OXIME GROUP, AGRICULTURAL/HORTICULTURAL HERBICIDE CONTAINING SAID COMPOUND, AND USE THEREOF 日本農薬株式会社 2022-05-05 WO disclosed