SCHEMBL29542880

SCHEMBL29542880

CCN=S(=O)(c1ccc2c(c1)nc(-c1nc(-n3cncn3)ccc1S(=O)(=O)CC)n2C)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ PTGER4 P35408 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL17383249 0.89 LMNA (0.45) CNR2LMNAHTTSMN1; SMN2NPC1
SCHEMBL29543391 0.88 LMNA (0.35) CNR2LMNAHTTSMN1; SMN2NPC1
SCHEMBL27145437 0.88 LMNA (0.35) CNR2LMNAHTTSMN1; SMN2NPC1
SCHEMBL30092787 0.86 CNR2 (0.35) CNR2LMNAHTTSMN1; SMN2NPC1
SCHEMBL27140601 0.86 CNR2 (0.35) CNR2LMNAHTTSMN1; SMN2NPC1
SCHEMBL17383123 0.84 DDR1 (0.36) CNR2SMN1; SMN2
SCHEMBL29543107 0.82 UTRN (0.36) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL17382576 0.82 CA12 (0.32) CNR2NPC1RAB9ACA12CA9
SCHEMBL17383192 0.82 CNR2 (0.30) CNR2NPC1RAB9A
SCHEMBL17949562 0.81 SMN1; SMN2 (0.32) CNR2SMN1; SMN2NPC1RAB9AKCNH2

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
CN-114450280-A Pesticidally active heterocyclic derivatives with sulphur-and sulphoxide imine substituents 先正达农作物保护股份公司 2022-05-06 — — CN claimed
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