SCHEMBL2456744

SCHEMBL2456744

N#Cc1c(Cl)c(Sc2ccccc2Cl)c(Sc2ccccc2Cl)c(Oc2cccc(Cl)c2Cl)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
ALDH1A1 P00352 1/20 0.35
PTGS2 P35354 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MAPT P10636 1/20 0.32
RHEB Q15382 2/20 0.32
LDHA P00338 1/20 0.31
AR P10275 2/20 0.31
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL2454556 0.88 ALDH1A1 (0.35) HSD11B1ALDH1A1TLR8MAPTRHEB
SCHEMBL2453220 0.87 AR (0.38) HSD11B1ALDH1A1PTGS2MAPTLDHA
SCHEMBL2457490 0.85 HSD11B1 (0.37) HSD11B1ALDH1A1PTGS2MAPTRHEB
SCHEMBL27622777 0.79 AR (0.36) HSD11B1ALDH1A1PTGS2TLR8MAPT
SCHEMBL2451518 0.77 HTR1A (0.33) HSD11B1ALDH1A1TLR8MAPTRHEB
SCHEMBL2453741 0.72 NPSR1 (0.40) ALDH1A1MAPTAR
SCHEMBL2456144 0.72 AR (0.39) HSD11B1ALDH1A1PTGS2LDHAAR
SCHEMBL27622767 0.70 AR (0.36) HSD11B1ALDH1A1TLR8MAPTRHEB
SCHEMBL2453341 0.69 MAOA (0.37) ALDH1A1MAPTRHEB
SCHEMBL2456519 0.69 HSD11B1 (0.37) HSD11B1ALDH1A1PTGS2MAPTAR

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