SCHEMBL8640743

SCHEMBL8640743

Cc1ccc2c(c1)NC(NC(C)C)=NS2

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8639139 0.88 EPHX2 (0.40) EPHX2GAA
SCHEMBL8583428 0.84 KCNH3 (0.32)
SCHEMBL8639052 0.80 NOX1 (0.43) GAASMN1; SMN2
SCHEMBL8584256 0.80 MAPT (0.38) GAAHTTSMN1; SMN2
SCHEMBL8637571 0.79 LRRK2 (0.34)
SCHEMBL16974920 0.79 KMT2A (0.47) GAAHTTSMN1; SMN2
SCHEMBL16974892 0.77 EPHX2 (0.36) EPHX2HTTSMN1; SMN2
SCHEMBL8639320 0.77 LRRK2 (0.38) HTTSMN1; SMN2
SCHEMBL2344742 0.77 GLP1R (0.31)
SCHEMBL16974832 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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