SCHEMBL31389040

SCHEMBL31389040

Cc1ccc2[nH]c(=S)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 8/20 1.00
KEAP1 Q14145 1/20 1.00
NOS1 P29475 2/20 0.61
KDM4E B2RXH2 4/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 3/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 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
SCHEMBL799525 1.00 PSMB8 (1.00) PSMB8KEAP1NOS1KDM4EGAA
SCHEMBL539847 0.84 PSMB8 (0.72) PSMB8KEAP1NOS1KDM4EGAA
SCHEMBL31389041 0.84 PSMB8 (0.72) PSMB8KEAP1NOS1KDM4EGAA
SCHEMBL8701782 0.81 PSMB8 (0.68) PSMB8KEAP1NOS1KDM4EGAA
SCHEMBL8697415 0.79 PSMB8 (0.64) PSMB8KEAP1NOS1KDM4EGAA
SCHEMBL8698994 0.79 PSMB8 (0.64) PSMB8KEAP1NOS1KDM4EGAA
SCHEMBL8701312 0.78 PSMB8 (0.62) PSMB8KEAP1NOS1KDM4EGAA
SCHEMBL25338094 0.76 PSMB8 (0.61) PSMB8KEAP1NOS1KDM4EGAA
SCHEMBL118671 0.76 PSMB8 (1.00) PSMB8KEAP1NOS1KDM4EGAA
SCHEMBL244119 0.76 NOS1 (1.00) PSMB8KEAP1NOS1KDM4EGAA

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-119259277-A Azacyclic sulfur application of ketone compound 昆明理工大学 2025-01-07 CN disclosed