SCHEMBL5502108

SCHEMBL5502108

Cc1nc(C)nc(CCc2cccc(Cl)c2N)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
ALDH1A1 P00352 2/20 0.35
PNMT P11086 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR4A2 P43354 1/20 0.34
HSP90AA1 P07900 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
AOC3 Q16853 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5504209 0.81 TAAR1 (0.35) TAAR1SMN1; SMN2AOC3NPC1RAB9A
SCHEMBL5498346 0.80 HSP90AA1 (0.33) GAAMEN1KMT2ATAAR1PNMT
SCHEMBL5501324 0.79 HSP90AA1 (0.38) TAAR1ALDH1A1HSP90AA1HSD17B10NPC1
SCHEMBL5498612 0.77 HTT (0.35) GAAMEN1KMT2ATAAR1ALDH1A1
SCHEMBL3786637 0.73 TAAR1 (0.44) GAAMEN1KMT2ATAAR1ALDH1A1
SCHEMBL5504265 0.73 HTT (0.35) GAAMEN1KMT2AALDH1A1PNMT
SCHEMBL2285469 0.71 NR4A2 (0.44) GAAMEN1KMT2AALDH1A1NR4A2
SCHEMBL3786411 0.70 TAAR1 (0.41) TAAR1ALDH1A1PNMTHTTSMN1; SMN2
SCHEMBL6503840 0.70 TAAR1 (0.44) TAAR1PNMTSLC6A2SLC6A4SLC6A3
SCHEMBL15771262 0.69 TAAR1 (0.40) GAAMEN1KMT2ATAAR1ALDH1A1

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