SCHEMBL6281989

SCHEMBL6281989

O=C(c1ncc[nH]1)C(C(=O)c1ncc[nH]1)C(=O)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.44
HSPA5 P11021 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
FDPS P14324 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
TBXAS1 P24557 1/20 0.34
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
GLA P06280 1/20 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
SCHEMBL7196095 0.84 NPC1 (0.46) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL6666888 0.83 NPC1 (0.49) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL7797221 0.83 NPC1 (0.44) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL10952701 0.81 NPC1 (0.60) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL28882574 0.81 NPC1 (0.47) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL50972 0.81 NPC1 (0.43) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL28612372 0.79 NPC1 (0.46) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL11599997 0.79 NPC1 (0.46) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL1324 0.78 NPC1 (0.62) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL2004766 0.78 NPC1 (0.52) NPC1RAB9AKMT2AHSPA5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841650-B2 Crystallizable poly (2,5-di-substituted-1,4-phenylene oxide) and a method of preparing the same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2005-01-11 US disclosed
EP-1029882-B1 A crystallizable poly(2,5-di-substituted-1, 4-phenylene oxide) and a method of preparing the same NAT INST OF ADVANCED IND SCIEN (JP) 2004-05-12 EP disclosed
US-6541596-B1 Subjecting a 2,5-di- substituted phenol to oxidative polymerization in the presence of oxygen and a copper complex catalyst composed of tridentate ligand of which nitrogen atoms are coordiante to a copper atom SECRETARY OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY 2003-04-01 US disclosed
US-20020183475-A1 Crystallizable poly (2,5-di-substituted-1,4-phenylene oxide) and a method of preparing the same SECRETARY OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY 2002-12-05 US disclosed
EP-1029882-A2 A crystallizable poly(2,5-di-substituted-1, 4-phenylene oxide) and a method of preparing the same Secretary of Agency of Industrial Science and Technology (JP) 2000-08-23 EP disclosed