SCHEMBL7870086

SCHEMBL7870086

N#Cc1c(F)c(F)c(Nc2c(Cl)cccc2Cl)c(F)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
KDM4E B2RXH2 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 3/20 0.34
ADRA2C P18825 3/20 0.34
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
HSD17B10 Q99714 2/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL14325885 0.90 SRC (0.37) SRCKDM4EL3MBTL1ALDH1A1CYP2D6
SCHEMBL14315656 0.88 SRC (0.36) SRCKDM4EL3MBTL1ALDH1A1CYP2D6
SCHEMBL7873558 0.83 MAPK1 (0.47) SRCKDM4EL3MBTL1ALDH1A1ADRA2A
SCHEMBL7869295 0.79 NRP1 (0.39) SRCKDM4EALDH1A1CYP2C19CYP1A2
SCHEMBL7868431 0.76 MAPT (0.44) SRCKDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL3963873 0.75 ADORA1 (0.44) KDM4EL3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL14318557 0.75 SRC (0.39) SRCKDM4EL3MBTL1ALDH1A1CYP2D6
SCHEMBL14325892 0.75 MAPT (0.41) SRCKDM4EL3MBTL1ALDH1A1CYP2D6
SCHEMBL7861719 0.74 MAP2K1 (0.49) SRCMAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL7866666 0.74 TRPV4 (0.38)

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