SCHEMBL31320023

SCHEMBL31320023

O=S(=O)(C1CC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 13/20 0.43
▸ RAD51 Q06609 1/20 0.41
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ AR P10275 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36

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
SCHEMBL31319986 1.00 NOTUM (0.43) NOTUMRAD51LMNAMAPTCHRM2
SCHEMBL31319987 0.86 NOTUM (0.43) NOTUMRAD51CHRM2CHRM5CHRM1
SCHEMBL31319968 0.86 NOTUM (0.43) NOTUMRAD51CHRM2CHRM5CHRM1
SCHEMBL31319975 0.77 PTGS2 (0.39) RAD51LMNAMAPTRORC
SCHEMBL31320008 0.76 DPP4 (0.45) NOTUMRAD51CHRM2CHRM5CHRM1
SCHEMBL31320005 0.76 AR (0.59) NOTUMAR
SCHEMBL24680813 0.75 NOTUM (0.47) NOTUM
SCHEMBL29914613 0.75 NOTUM (0.47) NOTUM
SCHEMBL24680782 0.74 NPY5R (0.48) NOTUMRORC
SCHEMBL29914459 0.74 NPY5R (0.48) NOTUMRORC

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-119219637-A Aromatic heterobicyclic compounds and antiviral uses thereof 苏州爱科百发生物医药技术有限公司 2024-12-31 — — CN disclosed
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