SCHEMBL2458686

SCHEMBL2458686

COC(=O)c1ccccc1Sc1c(F)c(C#N)c(C#N)c(F)c1Sc1ccccc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.47
MAPT P10636 5/20 0.46
HSD17B10 Q99714 3/20 0.46
POLB P06746 3/20 0.46
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2456494 0.86 GAA (0.50) MAPTHSD17B10GAAALDH1A1CYP1A2
SCHEMBL2454728 0.82 TSHR (0.53) MAPTHSD17B10POLBGAAALDH1A1
SCHEMBL27622781 0.78 MAPT (0.53) MAPTHSD17B10POLBGAAALDH1A1
SCHEMBL6160237 0.78 PKLR (0.52) PKLRMAPTHSD17B10POLBALDH1A1
SCHEMBL15535142 0.78 GAA (0.42) PKLRMAPTHSD17B10POLBGAA
SCHEMBL26676262 0.77 MAPT (0.65) MAPTPOLBGAAALDH1A1CYP1A2
SCHEMBL4440485 0.77 HSD17B10 (0.64) PKLRMAPTHSD17B10POLBGAA
SCHEMBL2453897 0.76 ALDH1A1 (0.44) MAPTHSD17B10GAAALDH1A1CYP1A2
SCHEMBL2453757 0.74 SLC6A3 (0.48) MAPTHSD17B10POLBGAAALDH1A1
SCHEMBL7869222 0.73 ALDH1A1 (0.47) POLBGAAALDH1A1CYP1A2CYP2C19

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