SCHEMBL2454728

SCHEMBL2454728

CCCCOC(=O)c1ccccc1Sc1c(F)c(C#N)c(C#N)c(F)c1Sc1ccccc1C(=O)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TRPA1 O75762 1/20 0.39
MEN1 O00255 1/20 0.39

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 0.88 GAA (0.50) TSHRTDP1L3MBTL1CYP3A4TP53
SCHEMBL27622776 0.82 MAPT (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL2458686 0.82 PKLR (0.47) TSHRTDP1L3MBTL1CYP3A4ALDH1A1
SCHEMBL3891331 0.79 TSHR (0.56) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL8880750 0.79 TSHR (0.54) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27971902 0.76 ALDH1A1 (0.77) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29092613 0.76 TSHR (0.75) TSHRTDP1L3MBTL1CYP3A4MAPK1
Dibutyl Phthalate SCHEMBL28176183 0.74 TSHR (0.96) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL9277021 0.73 TSHR (0.71) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL8228124 0.72 TSHR (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1

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