SCHEMBL7870111

SCHEMBL7870111

COC(C)OC(=O)c1cccc(C(=O)OC(C)OC)c1Oc1c(F)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 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
SCHEMBL7866694 0.93 MEN1 (0.33) MEN1KMT2AKDM4E
SCHEMBL7870153 0.92 KDM4E (0.38) MEN1KMT2AKDM4ENPC1
SCHEMBL7868307 0.90 SCN1A (0.40) KMT2AKDM4ENPC1
SCHEMBL7869035 0.89 MEN1 (0.32) MEN1KMT2A
SCHEMBL7869306 0.89 HCRTR1 (0.35) MEN1KMT2AKDM4E
SCHEMBL7866652 0.86 SCN1A (0.39) KMT2AKDM4ENPC1
SCHEMBL7866640 0.79 SCN1A (0.42) MEN1KMT2AKDM4ENPC1
SCHEMBL7866657 0.78 SCN1A (0.39) KMT2AKDM4E
SCHEMBL6238946 0.77 SCN1A (0.41) KMT2AKDM4ENPC1
SCHEMBL7870038 0.75 SCN1A (0.41) KMT2AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed