SCHEMBL25140486

SCHEMBL25140486

COc1ccc(C(=O)Nc2nc3ccccc3s2)c(NS(=O)(=O)c2cccc3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 9/20 1.00
USP8 P40818 9/20 1.00
NPC1 O15118 6/20 0.61
KLF5 Q13887 1/20 0.61
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
DUSP3 P51452 1/20 0.57
PTPN5 P54829 1/20 0.57
PTPN11 Q06124 1/20 0.57
RAB9A P51151 6/20 0.56
DHODH Q02127 1/20 0.56
CNR1 P21554 1/20 0.55
HTT P42858 1/20 0.54

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
SCHEMBL25140490 0.84 USP2 (1.00) USP2USP8NPC1KMT2AMEN1
SCHEMBL25140484 0.83 USP8 (1.00) USP2USP8NPC1KLF5KMT2A
SCHEMBL25140489 0.82 USP2 (1.00) USP2USP8NPC1KLF5KMT2A
SCHEMBL31134957 0.80 USP2 (0.71) USP2USP8NPC1KLF5KMT2A
SCHEMBL4918858 0.77 RAB9A (0.76) NPC1KLF5KMT2AMEN1KDM4E
SCHEMBL6769684 0.77 NPC1 (1.00) USP2USP8NPC1KLF5KMT2A
SCHEMBL14808194 0.73 CNR1 (1.00) NPC1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5955962 0.73 USP2 (0.57) USP2USP8KMT2AMEN1ALDH1A1
SCHEMBL4916511 0.72 NPC1 (1.00) NPC1KLF5KMT2AMEN1KDM4E
SCHEMBL31134932 0.71 USP2 (0.63) USP2USP8NPC1KMT2AMEN1

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
WO-2023061051-A1 SULFAMIDE USP8 INHIBITOR AND USE THEREOF 中国药科大学 2023-04-20 WO disclosed