SCHEMBL8587012

SCHEMBL8587012

Fc1ccc2c(c1)SN=C(NC1CCCC1)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.37
HTR5A P47898 1/20 0.36
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
JAK2 O60674 4/20 0.33
FYN P06241 1/20 0.32
MAP2K4 P45985 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MLLT1 Q03111 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 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
SCHEMBL8583882 0.97 HTR5A (0.39) NOX1HTR5AHTR2AHTR2CJAK2
SCHEMBL8582503 0.94 NOX1 (0.39) NOX1HTR5AJAK2MAP2K4MAPT
SCHEMBL8583089 0.89 HTR5A (0.36) HTR5AHTR2AHTR2CJAK2FYN
SCHEMBL16974895 0.81 HTR5A (0.39) HTR5APOLB
SCHEMBL8584940 0.81 HTR5A (0.42) NOX1HTR5ATDP1KDM4EMEN1
SCHEMBL8582669 0.79 HTR5A (0.48) NOX1HTR5AHTR2CTDP1KDM4E
SCHEMBL8585872 0.78 NOX1 (0.44) NOX1HTR5AMAPT
SCHEMBL8662194 0.77 ABL1 (0.38) NOX1HTR2A
SCHEMBL8582685 0.76 NOX1 (0.40) NOX1JAK2
SCHEMBL8654889 0.76 MAPT (0.47) NOX1HTR5AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP claimed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 WO claimed
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