SCHEMBL2458657

SCHEMBL2458657

CCCCOC(=O)c1cc(F)ccc1S

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 3/20 0.54
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
HSD17B10 Q99714 2/20 0.49
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ESR1 P03372 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4628206 0.86 TSHR (0.65) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL485764 0.84 TSHR (0.55) TSHRTDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL2453939 0.84 TSHR (0.57) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL2453928 0.84 TSHR (0.57) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL2453334 0.84 TSHR (0.57) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL2458656 0.82 TSHR (0.55) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4628526 0.82 TSHR (0.59) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL13117819 0.80 TSHR (0.53) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL13296383 0.79 TSHR (0.55) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL2457943 0.78 TSHR (0.77) TSHRTDP1L3MBTL1MAPK1CYP3A4

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 8 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
CN-1680380-A Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2005-10-12 CN 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
EP-0523959-B1 Novel phthalocyanine compounds, production method thereof, and near infrared ray absorption materials containing the same NIPPON CATALYTIC CHEM IND (JP) 1999-10-13 EP disclosed
US-5359056-A Lightfastness, solvent solubility NIPPON SHOKUBAI CO., LTD. (JP) 1994-10-25 US disclosed
EP-0523959-A2 Novel phthalocyanine compounds, production method thereof, and near infrared ray absorption materials containing the same NIPPON SHOKUBAI CO., LTD. (JP) 1993-01-20 EP disclosed