SCHEMBL2453584

SCHEMBL2453584

N#Cc1c(F)c(F)c(N(F)c2ccccc2)c(F)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CTSK P43235 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
SCHEMBL2460756 0.77 MAPT (0.35) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL27245264 0.76 MAPT (0.38) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL13826136 0.76 MAPT (0.38) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL2453931 0.72 MAPT (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL13826028 0.72 MAPT (0.43) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL16122511 0.69 ADORA1 (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL29176116 0.69 MAPT (0.41) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL2455087 0.67 TSHR (0.35) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL22124615 0.67 ADORA1 (0.40) KDM4EMEN1KMT2ANPSR1ADORA2A
SCHEMBL2389147 0.66 ALDH1A1 (0.46) MAPTKDM4EALDH1A1MEN1GAA

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