SCHEMBL8583208

SCHEMBL8583208

C=CCNC1=NSc2ccc(Cl)cc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL8582531 0.78 NOX1 (0.37) NOX1BCHEACHEMAPTSMN1; SMN2
SCHEMBL16974928 0.78 NOX1 (0.37) NOX1BCHEACHEMAPTGAA
SCHEMBL8585833 0.77 CYP1A2 (0.39) NOX1BCHEACHEMAPTHPGD
SCHEMBL8654963 0.77 NOX1 (0.36) NOX1BCHEACHEMAPTGAA
SCHEMBL8586554 0.76 NOX1 (0.37) NOX1LMNAMEN1KMT2AL3MBTL1
SCHEMBL7070570 0.76 SMN1; SMN2 (0.34) MAPTHPGDSMN1; SMN2GAAKDM4E
SCHEMBL8584271 0.75 ACHE (0.40) NOX1BCHEACHESMN1; SMN2CYP1A2
SCHEMBL16974883 0.74 KDM4E (0.39) NOX1BCHEACHESMN1; SMN2KDM4E
SCHEMBL8652279 0.74 HTR3A (0.39) NOX1BCHEACHEMAPTGAA
SCHEMBL7168859 0.74 CCNA2 (0.30) CDK2

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