SCHEMBL8634833

SCHEMBL8634833

CC(C)NC1=NSc2ccc(S(=O)(=O)c3ccccc3)cc2N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
KMT2A Q03164 1/20 0.34
HTR6 P50406 3/20 0.33
LMNA P02545 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.32
NAMPT P43490 1/20 0.32
PNMT P11086 1/20 0.32
SFRP1 Q8N474 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 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
SCHEMBL8637571 0.85 LRRK2 (0.34) ALDH1A1
SCHEMBL8721015 0.78 HTR6 (0.32) SMN1; SMN2HTR6
SCHEMBL8584256 0.76 MAPT (0.38) SMN1; SMN2ALDH1A1POLBMAPTNOX1
SCHEMBL7952504 0.75 CA12 (0.35) SMN1; SMN2ALDH1A1POLBMAPTKMT2A
SCHEMBL8639052 0.71 NOX1 (0.43) SMN1; SMN2ALDH1A1MAPTNOX1LMNA
SCHEMBL16974892 0.68 EPHX2 (0.36) SMN1; SMN2MAPTLMNA
SCHEMBL8642024 0.68 HCAR3 (0.43) SMN1; SMN2ALDH1A1POLBMAPTNOX1
SCHEMBL8639139 0.67 EPHX2 (0.40) MAPTNOX1KMT2A
SCHEMBL8581707 0.67 SNCA (0.46) SMN1; SMN2POLBMAPTNOX1KMT2A
SCHEMBL6956931 0.67 TDP1 (0.59) SMN1; SMN2ALDH1A1POLBMAPTKMT2A

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