SCHEMBL2453741

SCHEMBL2453741

Cc1cccc(Oc2c(C#N)c(C#N)c(Cl)c(Sc3ccccc3)c2Sc2ccccc2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
AR P10275 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PPARA Q07869 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 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
SCHEMBL2453220 0.86 AR (0.38) NPSR1ALDH1A1MAPTLMNAKDM4E
SCHEMBL2457184 0.86 ALDH1A1 (0.40) NPSR1ALDH1A1MAPTLMNAKDM4E
SCHEMBL2454556 0.84 ALDH1A1 (0.35) NPSR1ALDH1A1MAPTLMNAKDM4E
SCHEMBL2453341 0.80 MAOA (0.37) NPSR1ALDH1A1MAPTKDM4EHPGD
SCHEMBL28755476 0.79 AR (0.41) NPSR1ALDH1A1MAPTLMNAKDM4E
SCHEMBL2451518 0.74 HTR1A (0.33) ALDH1A1MAPTMAOAMAOB
SCHEMBL2453530 0.74 LTA4H (0.41) NPSR1ALDH1A1MAPTLMNAKDM4E
SCHEMBL3888717 0.73 L3MBTL1 (0.36) ALDH1A1MAPTLMNAARL3MBTL1
SCHEMBL2456744 0.72 HSD11B1 (0.36) ALDH1A1MAPTAR
SCHEMBL27604049 0.70 ALDH1A1 (0.40) NPSR1ALDH1A1MAPTLMNAKDM4E

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