SCHEMBL21375974

SCHEMBL21375974

CC[S+]([O-])c1cc(-c2ccc(Cl)cc2)sc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 12/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL21376143 0.92 JAK2 (0.31) —
SCHEMBL18179701 0.86 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL21376198 0.84 — —
SCHEMBL21376104 0.82 — —
SCHEMBL18173815 0.82 MCHR1 (0.34) MCHR1
SCHEMBL24286076 0.81 TP53 (0.33) MCHR1PTGS1PTGS2
SCHEMBL18179714 0.81 PTGS1 (0.35) MCHR1PTGS1PTGS2
SCHEMBL18179706 0.81 PTGDR2 (0.33) PTGS1PTGS2
SCHEMBL21925082 0.81 KDM4E (0.35) —
SCHEMBL24286075 0.77 MEN1 (0.32) —

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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