SCHEMBL8950370

SCHEMBL8950370

CC(=O)N1CCN(CCN2C=Cc3cc(S(=O)(=O)NC(C)(C)C)sc3S2(=O)=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LOX P28300 1/20 0.31
ALDH1A1 P00352 1/20 0.30
THRB P10828 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
SCHEMBL8950325 0.85 CA2 (0.38) KDM1AL3MBTL1LOXALDH1A1
SCHEMBL8950328 0.82 CA2 (0.31)
SCHEMBL9115082 0.80 KDM1A (0.34) KDM1AL3MBTL1LOXALDH1A1THRB
SCHEMBL8950595 0.78 CA2 (0.33)
SCHEMBL8950622 0.77
SCHEMBL8950362 0.76 CA2 (0.35) ALDH1A1
SCHEMBL8950316 0.74 CA2 (0.35)
SCHEMBL9057829 0.64 KDM1A (0.37) KDM1AL3MBTL1LOXALDH1A1THRB
SCHEMBL7938911 0.62 CA2 (0.47)
SCHEMBL9058369 0.62

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