SCHEMBL8809644

SCHEMBL8809644

COc1cc(OC)nc(C2OC(=O)c3c(Cl)cccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 1/20 0.36
FFAR2 O15552 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
ELANE P08246 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
PBRM1 Q86U86 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
SCHEMBL8807990 0.75 ACHE (0.37) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL11542708 0.69 ALDH1A1 (0.59) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4496746 0.67 PBRM1 (0.39) NPSR1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL9137877 0.67 NPSR1 (0.43) NPSR1ALDH1A1SMN1; SMN2
Pyrithiobac SCHEMBL23421324 0.65
SCHEMBL9142480 0.65 CYP1A2 (0.41) NPSR1
SCHEMBL8812629 0.65 HSP90AA1 (0.35) NPSR1HSP90AA1HSP90AB1EGFRFGFR1
SCHEMBL9139039 0.64 ALDH1A1 (0.50) NPSR1HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL8810852 0.64 NPSR1 (0.36) NPSR1HSP90AA1HSP90AB1LMNAEGFR
SCHEMBL2114306 0.64 ALOX5 (0.33) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461079-B1 Substituted phthalides and heterocyclic phthalides CIBA GEIGY AG (CH) 1997-07-16 EP disclosed
US-5627138-A HERBICIDES SANDOZ LTD. (CH) 1997-05-06 US disclosed
US-5627137-A HERBICIDES SANDOZ LTD. (CH) 1997-05-06 US disclosed
US-5561101-A HERBICIDES SANDOZ LTD. (CH) 1996-10-01 US disclosed
US-5506192-A HERBICIDES SANDOZ LTD. 1996-04-09 US disclosed
EP-0461079-A2 Substituted phthalides and heterocyclic phthalides SANDOZ LTD. (CH) 1991-12-11 EP disclosed