SCHEMBL8451882

SCHEMBL8451882

CC(C)(C)OC(=O)CNS(=O)(=O)c1ccc(C#Cc2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ GRM5 P41594 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SLC7A11 Q9UPY5 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MCL1 Q07820 1/20 0.40

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
SCHEMBL8446573 0.83 FFAR1 (0.56) FFAR1SLC7A11GAA
SCHEMBL7868880 0.82 FFAR1 (0.47) FFAR1POLBGRM5ALDH1A1RAB9A
SCHEMBL8448556 0.80 MEP1B (0.52) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL7675914 0.77 LMNA (0.65) RAB9AKDM4ENPC1GAAHPGD
SCHEMBL28588397 0.77 ALDH1A1 (0.51) POLBALDH1A1RAB9AKDM4ENPC1
SCHEMBL5892649 0.74 MMP2 (0.67) POLB
SCHEMBL5090951 0.72 CA1 (0.57) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL19450297 0.72 MMP2 (0.56) POLBALDH1A1RAB9AKDM4ENPC1
SCHEMBL6799380 0.72 ALDH1A1 (0.56) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL6806640 0.72 MMP13 (0.51) ALDH1A1RAB9AKDM4ENPC1GAA

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-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 — — EP disclosed
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