SCHEMBL8637571

SCHEMBL8637571

CC(C)NC1=NSc2ccc(S(C)(=O)=O)cc2N1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.34
EGFR P00533 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
PTGS2 P35354 2/20 0.32
DAO P14920 1/20 0.32
CSF1R P07333 1/20 0.32
PDGFRA P16234 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8640743 0.79 EPHX2 (0.30)
SCHEMBL8639052 0.75 NOX1 (0.43) ALDH1A1
SCHEMBL8584256 0.74 MAPT (0.38) PTGS2ALDH1A1
SCHEMBL7952673 0.73 LRRK2 (0.34) LRRK2CCNE1CDK2PTGS2CSF1R
SCHEMBL16974892 0.72 EPHX2 (0.36)
SCHEMBL8639139 0.71 EPHX2 (0.40)
SCHEMBL8581707 0.70 SNCA (0.46)
SCHEMBL8583646 0.70 GSK3B (0.41)
SCHEMBL8662788 0.70 SNCA (0.35)
SCHEMBL8586383 0.70 NOX1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP claimed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 WO claimed
EP-3099304-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA Mayo Foundation for Medical Education and Research (US) 2016-12-07 EP disclosed
WO-2015117024-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-08-06 WO disclosed
EP-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP disclosed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 WO disclosed