SCHEMBL5501408

SCHEMBL5501408

CSC(Cc1cccc(Cl)c1N)c1nc(C)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 2/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
CD38 P28907 4/20 0.32
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DHODH Q02127 1/20 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
SCHEMBL5501980 0.84 KMT2A (0.36) KMT2AMEN1ALDH1A1LMNA
SCHEMBL5497683 0.84 HSP90AA1 (0.34) ALDH1A1HSP90AA1
SCHEMBL5502568 0.82 NR4A2 (0.40) NR4A2KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL5498729 0.81 NR4A2 (0.39) NR4A2KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL2286349 0.74 NR4A2 (0.40) NR4A2KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL2285469 0.73 NR4A2 (0.44) NR4A2KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL5502762 0.72 TDP1 (0.33)
SCHEMBL5501405 0.72 NR4A2 (0.38) NR4A2KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL2289493 0.72 NR4A2 (0.43) NR4A2KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL5498612 0.70 HTT (0.35) NR4A2KMT2AMEN1ALDH1A1SMN1; SMN2

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