SCHEMBL15432302

SCHEMBL15432302

NC(=O)c1ncc2n1CCNC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.37
HRH1 P35367 2/20 0.36
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
NNMT P40261 4/20 0.33
PNMT P11086 1/20 0.33
PARP1 P09874 2/20 0.31
KCNH2 Q12809 2/20 0.31
PARP2 Q9UGN5 2/20 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
SCHEMBL31394694 0.84 HTR2A (0.34) HTR2AHTR2C
SCHEMBL16907762 0.77 ALDH1A1 (0.38)
SCHEMBL5779110 0.74 HTR2A (0.39) HTR2AHTR2CCHRNB2CHRNA4
SCHEMBL25333075 0.73 SSTR4 (0.40) TGFBR1HRH1NNMT
SCHEMBL1937282 0.73 HTR2A (0.39) TGFBR1HRH1HTR2AHTR2CPNMT
SCHEMBL16906805 0.71 TGFBR1 (0.37) TGFBR1PARP1PARP2
SCHEMBL30823972 0.71 KDM4E (0.35)
SCHEMBL2002227 0.70 HTR2C (0.39) HTR2AHTR2CCHRNB2CHRNA4
SCHEMBL9971963 0.70 MGLL (0.41) TGFBR1HTR2AHTR2CCHRNB2CHRNA4
SCHEMBL24731148 0.70 HTR2A (0.36) HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024049803-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR TREATMENT OF HERPES VIRUSES ASSEMBLY BIOSCIENCES, INC. (US) 2024-03-07 WO disclosed
EP-2872504-B1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
WO-2015104356-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 WO disclosed
WO-2015104353-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 WO disclosed
WO-2014009447-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO disclosed