SCHEMBL7866640

SCHEMBL7866640

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
NPC1 O15118 1/20 0.42
PDK2 Q15119 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPN1 P18031 2/20 0.35
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
GALR3 O60755 1/20 0.34

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
SCHEMBL6238946 0.92 SCN1A (0.41) SCN1ASCN2ASCN3ANPC1PDK2
SCHEMBL7868307 0.91 SCN1A (0.40) SCN1ASCN2ASCN3ANPC1PDK2
SCHEMBL7866652 0.89 SCN1A (0.39) SCN1ASCN2ASCN3ANPC1PDK2
SCHEMBL7870038 0.89 SCN1A (0.41) SCN1ASCN2ASCN3ANPC1PDCD1
SCHEMBL7868391 0.89 SCN1A (0.43) SCN1ASCN2ASCN3AALDH1A1KDM4E
SCHEMBL7868297 0.87 SCN1A (0.40) SCN1ASCN2ASCN3APDCD1CD274
SCHEMBL7866657 0.86 SCN1A (0.39) SCN1ASCN2ASCN3ACD274ALDH1A1
SCHEMBL7868300 0.84 SCN1A (0.39) SCN1ASCN2ASCN3A
SCHEMBL6238950 0.83 ALDH1A1 (0.37) SCN1ASCN2ASCN3ANPC1PDCD1
SCHEMBL7866643 0.83 SCN1A (0.45) SCN1ASCN2ASCN3APDK2ALDH1A1

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