SCHEMBL8580002

SCHEMBL8580002

CCNC1=NSc2cc(Br)ccc2N1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
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
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8585602 0.89 CCNC (0.39) SNCAHTTSMN1; SMN2
SCHEMBL8584509 0.82 NOX1 (0.40)
SCHEMBL16974889 0.81 ALDH1A1 (0.33) SNCASMN1; SMN2
SCHEMBL8582802 0.79 LMNA (0.36) SNCAGABRA1GABRG2GABRB3GABRA5
SCHEMBL8584042 0.76
SCHEMBL8583996 0.75 SNCA (0.32) SNCALMNASMN1; SMN2
SCHEMBL16974895 0.73 HTR5A (0.39) SNCA
SCHEMBL8582555 0.71 ADRA2A (0.38)
SCHEMBL8583168 0.71 SNCA (0.40) SNCAGABRA1GABRA5GABRA3
SCHEMBL8584133 0.70 SNCA (0.48) SNCALMNAHTTSMN1; SMN2

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