SCHEMBL5504265

SCHEMBL5504265

Cc1nc(C)nc(C(O)Cc2cccc(Cl)c2N)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.32
PNMT P11086 1/20 0.32
KCNH2 Q12809 1/20 0.32
AOC3 Q16853 1/20 0.31
NR4A2 P43354 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PIK3CD O00329 1/20 0.31
HSP90AA1 P07900 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
NUDT1 P36639 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5498729 0.87 NR4A2 (0.39) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL5498612 0.84 HTT (0.35) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL5505255 0.82 ITGB1 (0.35) HSP90AA1
SCHEMBL5499244 0.81 HSP90AA1 (0.35) ALDH1A1KCNH2HSP90AA1SLC6A2SLC6A4
SCHEMBL5502108 0.73 GAA (0.37) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL5504262 0.71 CTSA (0.33) GAAMEN1KMT2AALDH1A1PNMT
SCHEMBL5502568 0.71 NR4A2 (0.40) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL23435001 0.71 GABRA1 (0.50) GAAMEN1KMT2AALDH1A1PNMT
SCHEMBL2286528 0.70 CYP1A2 (0.40) GAAMEN1KMT2AALDH1A1PNMT
SCHEMBL2283666 0.70 CYP1A2 (0.36) GAAMEN1KMT2AALDH1A1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 WO disclosed