SCHEMBL8880949

SCHEMBL8880949

CO/N=C(/C(=O)N(C)C)c1ccccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.48
SGMS2 Q8NHU3 3/20 0.48
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
LIPE Q05469 1/20 0.44
PTGER1 P34995 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RXRA P19793 1/20 0.43

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
SCHEMBL8880953 1.00 HIF1A (0.48) HIF1ASGMS2NPC1HTTGAA
SCHEMBL8022176 0.87 SGMS2 (0.52) HIF1ASGMS2NPC1HTTGAA
SCHEMBL8022171 0.87 SGMS2 (0.52) HIF1ASGMS2NPC1HTTGAA
SCHEMBL9694581 0.84 HIF1A (0.65) HIF1ASGMS2NPC1HTTGAA
SCHEMBL8881918 0.84 HIF1A (0.65) HIF1ASGMS2NPC1HTTGAA
SCHEMBL8881912 0.84 HIF1A (0.65) HIF1ASGMS2NPC1HTTGAA
SCHEMBL8954633 0.82 SGMS2 (0.51) HIF1ASGMS2NPC1HTTGAA
SCHEMBL8368335 0.82 SGMS2 (0.51) HIF1ASGMS2NPC1HTTGAA
SCHEMBL8368334 0.82 SGMS2 (0.51) HIF1ASGMS2NPC1HTTGAA
SCHEMBL8370657 0.80 CTNNB1 (0.49) HTTGAAMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677347-A FUNGICIDES, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5523454-A FUNGICIDES, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-06-04 US disclosed
US-5516804-A FUNGICIDES FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
US-5395854-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1995-03-07 US disclosed