SCHEMBL2458086

SCHEMBL2458086

Cc1c(F)cc(Nc2cccc(C#N)c2C#N)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
LRRK2 Q5S007 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HIF1A Q16665 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
NISCH Q9Y2I1 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
SCHEMBL27622785 0.92 EGFR (0.35) EGFRLMNALRRK2ALDH1A1GAA
SCHEMBL2453586 0.87 LMNA (0.35) EGFRLMNALRRK2ALDH1A1GAA
SCHEMBL2460758 0.83 TYK2 (0.38) LRRK2ALDH1A1GAAKDM4EMAOA
SCHEMBL2458092 0.77 TSHR (0.34) EGFRLRRK2ALDH1A1GAATSHR
SCHEMBL2394925 0.68 TSHR (0.40) ALDH1A1GAAL3MBTL1TSHRKDM4E
SCHEMBL3191461 0.68 TRPV4 (0.43) ALDH1A1TSHR
SCHEMBL22853013 0.66 KDM4E (0.41) LRRK2ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL186554 0.66 KDM4E (0.44) ALDH1A1L3MBTL1TSHRKDM4ETAS1R3
SCHEMBL10330186 0.64 TSHR (0.43) ALDH1A1GAAL3MBTL1TSHRKDM4E
SCHEMBL289993 0.64 TRPV4 (0.46) LMNAALDH1A1GAAKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577350-B1 Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2011-09-14 EP disclosed
US-7473777-B2 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-06 US disclosed
EP-1577350-A1 Method for production of halogen-containing phthalocyanine compound Nippon Shokubai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-20050203293-A1 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2005-09-15 US disclosed