SCHEMBL8582802

SCHEMBL8582802

CC(C)NC1=NSc2cc(Br)ccc2N1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SNCA P37840 1/20 0.35
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL8583996 0.86 SNCA (0.32) LMNASMN1; SMN2SNCA
SCHEMBL16974889 0.86 ALDH1A1 (0.33) SMN1; SMN2SNCA
SCHEMBL8639139 0.84 EPHX2 (0.40)
SCHEMBL8582685 0.82 NOX1 (0.40)
SCHEMBL8586383 0.82 NOX1 (0.34) LMNASMN1; SMN2
SCHEMBL8662788 0.82 SNCA (0.35) SNCA
SCHEMBL8583646 0.82 GSK3B (0.41)
SCHEMBL8585052 0.80
SCHEMBL8638514 0.80 NOX1 (0.38)
SCHEMBL8580002 0.79 SNCA (0.35) LMNAHTTSMN1; SMN2SNCAGABRA1

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