SCHEMBL30939416

SCHEMBL30939416

CC(C)(C)OC(=O)NC1CCC(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
KDM1A O60341 1/20 0.46
DRD2 P14416 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CTDSP1 Q9GZU7 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.40
EPHX2 P34913 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL29850045 1.00 MAOB (0.46) MAOBKDM1ADRD2SMN1; SMN2CTDSP1
SCHEMBL29849710 0.88 MAOB (0.44) MAOBKDM1ADRD2SMN1; SMN2CTDSP1
SCHEMBL31514885 0.86 KDM1A (0.45) MAOBKDM1ADRD2EPHX2JAK2
SCHEMBL30810403 0.86 KDM1A (0.45) MAOBKDM1ADRD2EPHX2JAK2
SCHEMBL31155693 0.82 CCR6 (0.55) MAOBKDM1ADRD2EPHX2KAT6A
SCHEMBL1867760 0.81 TGM2 (0.51) MAOBKDM1A
SCHEMBL5311837 0.81 EPHX2 (0.58) SMN1; SMN2ALDH1A1EPHX2KMT2AGAA
SCHEMBL29849905 0.80 AAK1 (0.43) MAOBKDM1ADRD2MAOAJAK2
SCHEMBL23720467 0.79 KDM1A (0.49) MAOBKDM1ADRD2SMN1; SMN2ALDH1A1
SCHEMBL30556445 0.79 KDM1A (0.49) MAOBKDM1ADRD2SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630402-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
WO-2024121013-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed