SCHEMBL2455095

SCHEMBL2455095

CN(C)CCOc1c(F)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
ESR1 P03372 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
LTA4H P09960 1/20 0.31
HTR7 P34969 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL2457473 0.85 KDM4E (0.39) ALDH1A1MAPTESR1LTA4HKDM4E
SCHEMBL22831333 0.81 MAPT (0.41) ALDH1A1MAPTHRH3KEAP1NFE2L2
SCHEMBL8162404 0.77 MAPT (0.36) ALDH1A1MAPTESR1LTA4HKDM4E
SCHEMBL7866679 0.76
SCHEMBL7868490 0.76 KDM4E (0.35) KDM4E
SCHEMBL21165371 0.76 ALDH1A1 (0.44) ALDH1A1MAPTHRH3KEAP1NFE2L2
SCHEMBL17779820 0.76 ALDH1A1 (0.37) ALDH1A1MAPTHRH3KEAP1NFE2L2
SCHEMBL7870115 0.69 HSD17B10 (0.32)
SCHEMBL22831368 0.69 SLC6A2 (0.36)
SCHEMBL3619566 0.68 TRPV4 (0.31)

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