SCHEMBL20633511

SCHEMBL20633511

CC[S+]([O-])c1cc(NC(=O)OC(C)(C)C)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 9/20 0.35
▸ AR P10275 1/20 0.34
▸ STING1 Q86WV6 1/20 0.33
▸ AGPAT2 O15120 1/20 0.32
▸ ACSS2 Q9NR19 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ PTGES O14684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ MAPKAPK2 P49137 1/20 0.30
▸ IDH1 O75874 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
SCHEMBL20633533 0.84 — —
SCHEMBL20609952 0.84 RORC (0.37) RORCARSTING1AGPAT2ACSS2
SCHEMBL29814228 0.84 RORC (0.37) RORCARSTING1AGPAT2ACSS2
SCHEMBL20936300 0.83 AGPAT2 (0.34) RORCARSTING1AGPAT2ACSS2
SCHEMBL20633512 0.83 QRFPR (0.30) —
SCHEMBL22201177 0.81 — —
SCHEMBL22201081 0.81 — —
SCHEMBL22201188 0.79 PTGS2 (0.31) —
SCHEMBL22201192 0.79 MAPT (0.34) —
SCHEMBL22683338 0.79 — —

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-2019008072-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-10 — — WO disclosed
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