SCHEMBL28938657

SCHEMBL28938657

CCS(=O)(=O)c1cc(C2(C#N)CC2)cnc1-c1nc2cc(NS(=O)(=O)C(F)(F)F)ccc2n1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ PAX8 Q06710 2/20 0.32
▸ SMN1; SMN2 Q16637 5/20 0.32
▸ LMNA P02545 5/20 0.32
▸ HTT P42858 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ HSPD1 P10809 1/20 0.31
▸ HSPE1 P61604 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL22190191 0.85 MEN1 (0.36) CNR2ALDH1A1
SCHEMBL23120278 0.85 LMNA (0.38) CNR2SMN1; SMN2LMNAHTTCA1
SCHEMBL29748745 0.85 LMNA (0.38) CNR2SMN1; SMN2LMNAHTTCA1
SCHEMBL23120267 0.84 LMNA (0.31) SMN1; SMN2LMNAHTT
SCHEMBL29748518 0.84 LMNA (0.31) SMN1; SMN2LMNAHTT
SCHEMBL29748644 0.83 LMNA (0.36) CNR2SMN1; SMN2LMNAHTTCA1
SCHEMBL23120298 0.83 LMNA (0.36) CNR2SMN1; SMN2LMNAHTTCA1
SCHEMBL23120234 0.82 LMNA (0.35) CNR2SMN1; SMN2LMNAHTTCA1
SCHEMBL30092782 0.82 LMNA (0.35) CNR2SMN1; SMN2LMNAHTTCA1
SCHEMBL17529566 0.82 S1PR1 (0.32) SMN1; SMN2LMNAHTT

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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