SCHEMBL2455421

SCHEMBL2455421

CCCCNc1c(C#N)c(C#N)c(F)c(Sc2ccc(OC)cc2)c1Sc1ccc(OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ATM Q13315 1/20 0.34
MAPT P10636 6/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAOB P27338 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAOA P21397 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NTSR1 P30989 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TYMS P04818 1/20 0.33
KCNK3 O14649 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL2453573 0.87 MAPT (0.38) GAAALDH1A1ATMMAPTNPSR1
SCHEMBL2454355 0.86 SLC2A1 (0.33) ALDH1A1MAOBMAOAKDM4EBCHE
SCHEMBL2453469 0.81 ALDH1A1 (0.39) GAAALDH1A1MAPTNPSR1MEN1
SCHEMBL27603928 0.79 MEN1 (0.36) GAAALDH1A1ATMMAPTNPSR1
SCHEMBL3889951 0.77 ADORA2A (0.45) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL3901477 0.75 ADORA2A (0.42) GAAALDH1A1MAPTNPSR1MEN1
SCHEMBL2454063 0.74 CYP1A2 (0.34) ATMNPSR1ACHE
SCHEMBL2454751 0.72 KDM4E (0.34) NPSR1MAOBMAOAKDM4EBCHE
SCHEMBL2458727 0.70 ADORA2A (0.45) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL27622779 0.70 MAPT (0.37) GAAALDH1A1ATMMAPTNPSR1

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