SCHEMBL2453341

SCHEMBL2453341

N#Cc1c(Cl)c(Sc2ccccc2)c(Sc2ccccc2)c(Oc2ccccc2)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CYP2C9 P11712 2/20 0.35
PIN1 Q13526 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 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
SCHEMBL2453530 0.90 LTA4H (0.41) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL2457490 0.85 HSD11B1 (0.37) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL2455103 0.83 MAOA (0.37) MAOAMAOBALDH1A1CYP1A2CYP2C19
SCHEMBL2454556 0.83 ALDH1A1 (0.35) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL2456872 0.80 CA12 (0.37) MAOAMAOBALDH1A1CYP1A2CYP2C19
SCHEMBL2453741 0.80 NPSR1 (0.40) MAOAMAOBALDH1A1CYP1A2CYP2C19
SCHEMBL8694197 0.75 KMT2A (0.41) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL2451318 0.74 LTA4H (0.36) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL27603934 0.73 ALDH1A1 (0.38) MAOAMAOBALDH1A1CYP1A2CYP2C19
SCHEMBL2451518 0.72 HTR1A (0.33) MAOAMAOBALDH1A1MAPTRHEB

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