SCHEMBL2585650

SCHEMBL2585650

Nc1c(O)cccc1C(c1cccc(O)c1N)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 4/20 0.35
TSHR P16473 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ALOX15 P16050 3/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33

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
SCHEMBL6754030 0.83 G6PD (0.42) G6PDCASP7CASP6ALDH1A1TDP1
SCHEMBL2438871 0.83 G6PD (0.42) G6PDCASP7CASP6ALDH1A1TDP1
SCHEMBL689225 0.80 G6PD (0.37) G6PDCASP7CASP6ALDH1A1TDP1
SCHEMBL8655007 0.78 CD44 (0.39) CASP7ALDH1A1TDP1TSHRALOX15
SCHEMBL29563390 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TSHRESR1ESR2
SCHEMBL584399 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TSHRESR1ESR2
SCHEMBL28217056 0.77 G6PD (0.35) G6PDCASP7CASP6ALDH1A1TDP1
SCHEMBL6757407 0.75 MMP2 (0.39) CASP7ALDH1A1TDP1TSHRESR1
SCHEMBL30390082 0.75 MMP2 (0.39) CASP7ALDH1A1TDP1TSHRESR1
SCHEMBL6759280 0.75 MAPK1 (0.33) ALDH1A1TDP1TSHRKDM4ELMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939776-A1 PERFLUOROELASTOMER COMPOSITION HAVING IMPROVED PROCESSABILITY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-08 EP claimed
WO-1998023653-A1 PERFLUOROELASTOMER COMPOSITION HAVING IMPROVED PROCESSABILITY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-04 WO claimed
US-10669377-B2 Polyimide solution, heat-resistant non-woven fabric, and method for manufacturing same TORAY INDUSTRIES, INC. (JP) 2020-06-02 US disclosed
US-20170342214-A1 POLYIMIDE SOLUTION, HEAT-RESISTANT NON-WOVEN FABRIC, AND METHOD FOR MANUFACTURING SAME TORAY INDUSTRIES, INC. (JP) 2017-11-30 US disclosed
EP-3216819-A1 POLYIMIDE SOLUTION, HEAT-RESISTANT NON-WOVEN FABRIC, AND METHOD FOR MANUFACTURING SAME Toray Industries, Inc. (JP) 2017-09-13 EP disclosed
WO-2011139410-A2 MANUFACTURE OF PERFLUOROELASTOMER COMPOUNDS CONTAINING FIBRILLATING PTFE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-10 WO disclosed
US-20040152862-A1 Optical resins and applications thereof HITACHI CHEMICAL CO., LTD. (JP) 2004-08-05 US disclosed
EP-0725284-B1 Ocular lens material MENICON CO LTD (JP) 2002-05-22 EP disclosed
EP-0634673-B1 Ocular lens material MENICON CO LTD (JP) 1999-10-20 EP disclosed
US-5703143-A SILICON-CONTAINING POLYPHENYLENE ETHER POLYMER MENICON CO., LTD. (JP) 1997-12-30 US disclosed
US-5605942-A POLYIMIDE HAVING EXCELLENT TRANSPARENCY, OXYGEN PERMEABILITY, HEAT RESISTANCE, ULTRAVIOLET LIGHT ABSORPTION MENICON CO., LTD. (JP) 1997-02-25 US disclosed
EP-0725284-A2 Ocular lens material Menicon Co., Ltd. (JP) 1996-08-07 EP disclosed
US-5543442-A POLYIMIDESILOXANE COPOLYMER MENICON CO., LTD. (JP) 1996-08-06 US disclosed
EP-0634673-A1 Ocular lens material Menicon Co., Ltd. (JP) 1995-01-18 EP disclosed
US-5276128-A Polybenzoxazoles or polybenzthiazoles as dopes for fibers or films THE DOW CHEMICAL COMPANY (US) 1994-01-04 US disclosed