SCHEMBL809713

SCHEMBL809713

CCCCCCCCCCCNc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.63
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.57
EPHX1 P07099 3/20 0.50
HTT P42858 1/20 0.50
ABL1 P00519 1/20 0.49
ALOX12 P18054 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.45
NAAA Q02083 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
SCHEMBL809968 1.00 KCNH3 (0.63) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL1851794 1.00 KCNH3 (0.63) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL1851675 1.00 KCNH3 (0.63) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL1850990 1.00 KCNH3 (0.63) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL809599 1.00 KCNH3 (0.63) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL809502 0.98 KCNH3 (0.65) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL1849170 0.92 ALDH1A1 (0.61) KCNH3ALDH1A1MAPTHTTALOX12
SCHEMBL2732291 0.92 ALDH1A1 (0.67) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL177298 0.92 ALDH1A1 (0.67) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL2888362 0.92 ALDH1A1 (0.67) KCNH3ALDH1A1MAPTEPHX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8062551-B2 Antiozonant blends CHEMTURA CORPORATION (US) 2011-11-22 US claimed
EP-2013273-B1 ANTIOZONANT BLENDS CHEMTURA CORP (US) 2011-11-16 EP claimed
WO-2011130994-A1 MULTI-USER CHANNEL ESTIMATION METHOD AND DEVICE 中兴通讯股份有限公司 (CN) 2011-10-27 WO claimed
EP-2013273-A1 ANTIOZONANT BLENDS CHEMTURA CORPORATION (US) 2009-01-14 EP claimed
WO-2007130262-A1 ANTIOZONANT BLENDS CHEMTURA CORPORATION (US) 2007-11-15 WO claimed
US-20070260000-A1 Antiozonant blends ADDIVANT USA, LLC 2007-11-08 US claimed
US-8062551-B2 Antiozonant blends CHEMTURA CORPORATION (US) 2011-11-22 US disclosed
EP-2013273-B1 ANTIOZONANT BLENDS CHEMTURA CORP (US) 2011-11-16 EP disclosed
WO-2011130994-A1 MULTI-USER CHANNEL ESTIMATION METHOD AND DEVICE 中兴通讯股份有限公司 (CN) 2011-10-27 WO disclosed
EP-2013273-A1 ANTIOZONANT BLENDS CHEMTURA CORPORATION (US) 2009-01-14 EP disclosed
WO-2007130262-A1 ANTIOZONANT BLENDS CHEMTURA CORPORATION (US) 2007-11-15 WO disclosed
US-20070260000-A1 Antiozonant blends ADDIVANT USA, LLC 2007-11-08 US disclosed
EP-0008307-A1 Polyurethane foams prepared from condensation products of amines, epihalohydrins and alkylene oxides BASF WYANDOTTE CORPORATION (US) 1980-03-05 EP disclosed
US-4133780-A Polyurethane foams prepared from condensation products of amines, epihalohydrins and alkylene oxides BASF WYANDOTTE CORPORATION (US) 1979-01-09 US disclosed