SCHEMBL21376154

SCHEMBL21376154

CC[S+]([O-])c1sc(-c2ncccn2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL18179831 0.86 CYP19A1 (0.32) CYP19A1NPC1RAB9A
SCHEMBL21375987 0.85 — —
SCHEMBL18179706 0.85 PTGDR2 (0.33) —
SCHEMBL18179614 0.81 CYP19A1 (0.33) CYP19A1
SCHEMBL18179619 0.80 NPC1 (0.34) CYP19A1NPC1RAB9A
SCHEMBL17697064 0.80 PTGS2 (0.35) NPC1RAB9A
SCHEMBL18179712 0.79 PRMT6 (0.34) —
SCHEMBL22683338 0.76 — —
SCHEMBL30958300 0.76 — —
SCHEMBL18179548 0.76 CYP19A1 (0.33) CYP19A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 — — EP disclosed
EP-3286187-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 — — EP disclosed
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