SCHEMBL5501324

SCHEMBL5501324

COc1cc(OC)nc(CCc2cccc(Cl)c2N)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.38
HSP90AB1 P08238 2/20 0.38
PDE2A O00408 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DHFR P00374 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TXNRD1 Q16881 1/20 0.32

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
SCHEMBL2288462 0.87 PDE2A (0.42) HSP90AA1HSP90AB1PDE2AALDH1A1NPC1
SCHEMBL5498346 0.84 HSP90AA1 (0.33) HSP90AA1HSP90AB1DHFRTAAR1
SCHEMBL5499313 0.83 NPC1 (0.35) PDE2AALDH1A1NPC1RAB9ADHFR
SCHEMBL5503160 0.80 HSP90AA1 (0.36) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL2286122 0.80 HSP90AA1 (0.43) HSP90AA1HSP90AB1PDE2AALDH1A1KDM4E
SCHEMBL5502108 0.79 GAA (0.37) HSP90AA1ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL11993262 0.77 PDE2A (0.36) HSP90AA1HSP90AB1PDE2AALDH1A1KDM4E
SCHEMBL5499244 0.76 HSP90AA1 (0.35) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL2283849 0.76 KDM4E (0.41) HSP90AA1HSP90AB1PDE2AALDH1A1NPSR1
SCHEMBL5497683 0.74 HSP90AA1 (0.34) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A

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