SCHEMBL8950325

SCHEMBL8950325

CC(=O)N1CCN(CCN2C=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.38
CA4 P22748 3/20 0.38
LOX P28300 1/20 0.35
KDM1A O60341 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL8950370 0.85 KDM1A (0.32) LOXKDM1AL3MBTL1ALDH1A1
SCHEMBL8950419 0.84 CA2 (0.52) CA2CA4
SCHEMBL9057829 0.78 KDM1A (0.37) CA2LOXKDM1AL3MBTL1ALDH1A1
SCHEMBL8950392 0.75 CA2 (0.47) CA2CA4
Hydrochloric Acid SCHEMBL9094229 0.73 CA2 (0.40) CA2CA4
SCHEMBL8950293 0.73 CA2 (0.43) CA2CA4
Hydrochloric Acid SCHEMBL8950381 0.72 CA2 (0.42) CA2CA4
SCHEMBL7941096 0.72 CA2 (0.39) CA2CA4
Hydrochloric Acid SCHEMBL8950390 0.71 CA2 (0.46) CA2CA4
Hydrochloric Acid SCHEMBL8950394 0.71 CA2 (0.46) CA2CA4

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