SCHEMBL7868307

SCHEMBL7868307

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
KMT2A Q03164 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
PLA2G1B P04054 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN9A Q15858 1/20 0.32
GRIA2 P42262 2/20 0.32
GRIA4 P48058 2/20 0.32
SQOR Q9Y6N5 2/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL7866652 0.96 SCN1A (0.39) SCN1ASCN2ASCN3AKMT2ASLC6A4
SCHEMBL7866640 0.91 SCN1A (0.42) SCN1ASCN2ASCN3AKMT2ASLC6A4
SCHEMBL7870111 0.90 MEN1 (0.33) KMT2AKDM4ENPC1
SCHEMBL6238946 0.89 SCN1A (0.41) SCN1ASCN2ASCN3AKMT2ASLC6A4
SCHEMBL7866657 0.89 SCN1A (0.39) SCN1ASCN2ASCN3AKMT2ASLC6A4
SCHEMBL7870038 0.86 SCN1A (0.41) SCN1ASCN2ASCN3AKMT2AALDH1A1
SCHEMBL7868391 0.86 SCN1A (0.43) SCN1ASCN2ASCN3AALDH1A1KDM4E
SCHEMBL7866694 0.85 MEN1 (0.33) KMT2AALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL7870153 0.85 KDM4E (0.38) KMT2AALDH1A1KDM4ENPC1LMNA
SCHEMBL7868297 0.84 SCN1A (0.40) SCN1ASCN2ASCN3AALDH1A1KDM4E

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