SCHEMBL5498612

SCHEMBL5498612

Cc1nc(C)nc(C(Cl)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 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PNMT P11086 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NR4A2 P43354 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PIK3CD O00329 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCR2 P41597 1/20 0.31
CCR5 P51681 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL5502568 0.87 NR4A2 (0.40) SMN1; SMN2GAAMEN1KMT2APNMT
SCHEMBL5504265 0.84 HTT (0.35) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL5506440 0.82 ITGB1 (0.34) GAAMEN1KMT2APNMT
SCHEMBL5503160 0.81 HSP90AA1 (0.36) PNMTALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5502108 0.77 GAA (0.37) HTTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL2283666 0.74 CYP1A2 (0.36) GAAMEN1KMT2APNMTALDH1A1
SCHEMBL5504262 0.72 CTSA (0.33) GAAMEN1KMT2APNMTALDH1A1
SCHEMBL23435001 0.72 GABRA1 (0.50) GAAMEN1KMT2APNMTALDH1A1
SCHEMBL5498729 0.71 NR4A2 (0.39) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL2286528 0.71 CYP1A2 (0.40) GAAMEN1KMT2APNMTALDH1A1

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