SCHEMBL10352168

SCHEMBL10352168

SCC(S)c1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.54
HPGD P15428 4/20 0.51
UBE2T Q9NPD8 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
CYP1A2 P05177 4/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2C19 P33261 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 3/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 2/20 0.43
CASR P41180 1/20 0.43
ALOX5 P09917 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ADRA2A P08913 1/20 0.43
FBP1 P09467 1/20 0.43

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
SCHEMBL10351068 0.81 HPGD (0.58) LOXL2HPGDUBE2TASIC3CYP1A2
SCHEMBL11848949 0.80 LOXL2 (0.49) LOXL2HPGDUBE2TASIC3CYP1A2
SCHEMBL11243380 0.79 PKM (0.54) LOXL2HPGDCYP1A2HSD17B10CYP2C19
SCHEMBL8413104 0.78 HPGD (0.54) LOXL2HPGDUBE2TASIC3CYP1A2
SCHEMBL20072395 0.78 LOXL2 (0.62) LOXL2HPGDUBE2TASIC3CYP1A2
SCHEMBL3787121 0.76 HPGD (0.56) LOXL2HPGDCYP1A2HSD17B10CYP2C19
SCHEMBL28946926 0.74 HPGD (0.50) LOXL2HPGDUBE2TASIC3CYP1A2
SCHEMBL10447709 0.74 HPGD (0.50) LOXL2HPGDCYP1A2HSD17B10CYP2C19
SCHEMBL2146969 0.73 LOXL2 (0.66) LOXL2HPGDUBE2TASIC3CYP1A2
SCHEMBL16383316 0.73 HPGD (0.58) LOXL2HPGDUBE2TASIC3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110898049-B Application of disulfide compound in preparation of medicine, FBP enzyme inhibitor and medicament for preventing and/or treating diabetes 华中师范大学 2021-09-14 CN disclosed
CN-110898049-A Application of disulfide compound in preparation of medicine, FBP enzyme inhibitor and medicament for preventing and/or treating diabetes 华中师范大学 2020-03-24 CN disclosed
EP-0128891-B1 DEODORIZED COMPOSITIONS MONSANTO COMPANY (US) 1990-07-25 EP disclosed
US-4770806-A ACTIVATED CARBON AND ORGANIC SULFUR COMPOUND RUBBER ADDITIVE MONSANTO COMPANY (US) 1988-09-13 US disclosed
EP-0128891-A2 Deodorized compositions MONSANTO COMPANY (US) 1984-12-19 EP disclosed