SCHEMBL8950506

SCHEMBL8950506

COCCCN1C(CO)=Cc2ccsc2S1(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8950339 0.80 CA2 (0.41) ALDH1A1CA2CA4MAPK1
SCHEMBL8950389 0.79 PTGER4 (0.34) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL9058210 0.72 KDM4E (0.30) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL8950606 0.72 CA2 (0.36) GAAALDH1A1MAPTCA2CA4
SCHEMBL8950119 0.67 CMA1 (0.32) GAAALDH1A1MAPTKDM4E
SCHEMBL8950476 0.67 CA2 (0.45) CA2CA4
SCHEMBL3585070 0.67 CA2 (0.47) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL3577810 0.67 CA2 (0.47) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL3586845 0.67 CA2 (0.47) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL12603535 0.66 TDP1 (0.41) GAAALDH1A1MAPTKDM4EHPGD

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
US-5538966-A ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-23 US disclosed