SCHEMBL2453586

SCHEMBL2453586

N#Cc1cccc(Nc2cc(F)c(F)c(F)c2F)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
EGFR P00533 1/20 0.34
LRRK2 Q5S007 1/20 0.34
KDM4E B2RXH2 3/20 0.33
POLB P06746 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
TRPV4 Q9HBA0 2/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
CXCR2 P25025 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
BCAT1 P54687 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
SCHEMBL2458086 0.87 EGFR (0.33) LMNAEGFRLRRK2KDM4ETAS1R3
SCHEMBL27622785 0.84 EGFR (0.35) LMNAEGFRLRRK2KDM4ETAS1R3
SCHEMBL2460758 0.84 TYK2 (0.38) LRRK2KDM4EALDH1A1GAA
SCHEMBL2458092 0.74 TSHR (0.34) EGFRLRRK2KDM4ETAS1R3TAS1R1
SCHEMBL2453559 0.72 KDM4E (0.39) LMNALRRK2KDM4EHPGDTSHR
SCHEMBL186554 0.68 KDM4E (0.44) KDM4ETAS1R3TAS1R1TAS1R2HSD17B10
SCHEMBL2394925 0.68 TSHR (0.40) KDM4EPOLBHSD17B10HPGDTSHR
Bromide SCHEMBL20984417 0.66 KDM4E (0.38) LMNAKDM4EHSD17B10HPGDTSHR
SCHEMBL3286845 0.66 KDM4E (0.46) LMNAKDM4EPOLBHSD17B10HPGD
Hydrochloric Acid SCHEMBL20984076 0.66 KDM4E (0.38) LMNAKDM4EPOLBHSD17B10HPGD

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 5 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
CN-1680380-A Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2005-10-12 CN 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