SCHEMBL17529569

SCHEMBL17529569

CC[S+]([O-])c1cc(C2(C(F)(F)F)CC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.31
▸ BRD4 O60885 1/20 0.31

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
SCHEMBL31476261 0.87 — —
SCHEMBL31476241 0.87 — —
SCHEMBL24369944 0.84 POLB (0.32) —
SCHEMBL22683338 0.83 — —
SCHEMBL22201081 0.83 — —
SCHEMBL30958300 0.83 — —
SCHEMBL20633533 0.81 — —
SCHEMBL22201192 0.81 MAPT (0.34) —
SCHEMBL22201188 0.81 PTGS2 (0.31) —
SCHEMBL22201187 0.81 S1PR1 (0.30) —

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-2016026848-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-02-25 — — WO disclosed
Send feedback