SCHEMBL18179701

SCHEMBL18179701

CC[S+]([O-])c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc(-c2ccc(Cl)cc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.32
▸ PTGS2 P35354 4/20 0.32
▸ LMNA P02545 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PI4KB Q9UBF8 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
SCHEMBL21375974 0.86 MCHR1 (0.32) PTGS1PTGS2
SCHEMBL18173822 0.84 LMNA (0.34) PTGS1PTGS2LMNA
SCHEMBL18179545 0.83 KCNH2 (0.36) PTGS1PTGS2LMNA
SCHEMBL18179706 0.82 PTGDR2 (0.33) PTGS1PTGS2LMNA
SCHEMBL24361308 0.81 — —
SCHEMBL24360760 0.79 — —
SCHEMBL24286076 0.79 TP53 (0.33) PTGS1PTGS2LMNA
SCHEMBL24360753 0.79 — —
SCHEMBL24361080 0.79 ALDH1A1 (0.31) LMNA
SCHEMBL24361240 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 3 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
WO-2016169886-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA CROP PROTECTION AG (CH) 2016-10-27 — — WO disclosed
Send feedback