SCHEMBL24286076

SCHEMBL24286076

CC[S+]([O-])c1ccc(-c2ccc(Cl)cc2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ TRPV3 Q8NET8 4/20 0.31
▸ MCHR1 Q99705 1/20 0.30
▸ MAPT P10636 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
SCHEMBL24286075 0.87 MEN1 (0.32) —
SCHEMBL24286745 0.86 PTGS2 (0.35) KDM4EALDH1A1PTGS1PTGS2HPGD
SCHEMBL19731192 0.83 LMNA (0.37) TP53KCNH2KDM4EALDH1A1HSD17B10
SCHEMBL18179706 0.81 PTGDR2 (0.33) KDM4EALDH1A1HSD17B10LMNAPTGS1
SCHEMBL21375974 0.81 MCHR1 (0.32) PTGS1PTGS2MCHR1
SCHEMBL21925082 0.81 KDM4E (0.35) KDM4EALDH1A1LMNAHPGD
SCHEMBL17949389 0.81 KCNH2 (0.41) KCNH2KDM4EALDH1A1LMNAPTGS1
SCHEMBL17697064 0.80 PTGS2 (0.35) KDM4ELMNAPTGS2
SCHEMBL24286108 0.79 S1PR1 (0.31) —
SCHEMBL18179701 0.79 PTGS1 (0.32) LMNAPTGS1PTGS2

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
EP-3247712-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-20 — — EP disclosed
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