SCHEMBL7866657

SCHEMBL7866657

COCCOC(C)OC(=O)c1cccc(-c2ccccc2)c1Oc1c(F)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.39
SCN2A Q99250 3/20 0.39
SCN3A Q9NY46 3/20 0.39
SQOR Q9Y6N5 1/20 0.38
NR1H4 Q96RI1 1/20 0.32
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
GAA P10253 2/20 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
SCHEMBL7868307 0.89 SCN1A (0.40) SCN1ASCN2ASCN3ASQORNR1H4
SCHEMBL7866652 0.87 SCN1A (0.39) SCN1ASCN2ASCN3ASQORNR1H4
SCHEMBL7866670 0.87 TSHR (0.45) SCN1ASCN2ASCN3ASQORNR1H4
SCHEMBL7866640 0.86 SCN1A (0.42) SCN1ASCN2ASCN3ANR1H4KDM4E
SCHEMBL7866655 0.84 TSHR (0.43) SCN1ASCN2ASCN3ASQORNR1H4
SCHEMBL6238946 0.84 SCN1A (0.41) SCN1ASCN2ASCN3ASQORKDM4E
SCHEMBL7870038 0.83 SCN1A (0.41) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL7868391 0.83 SCN1A (0.43) SCN1ASCN2ASCN3ASQORKDM4E
SCHEMBL7868297 0.81 SCN1A (0.40) SCN1ASCN2ASCN3AKDM4EALDH1A1
SCHEMBL7866643 0.80 SCN1A (0.45) SCN1ASCN2ASCN3ASQORKDM4E

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