SCHEMBL2490922

SCHEMBL2490922

Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.67
RAB9A P51151 10/20 0.67
SMN1; SMN2 Q16637 10/20 0.67
NPC1 O15118 9/20 0.67
KDM4E B2RXH2 9/20 0.67
ALDH1A1 P00352 9/20 0.67
TP53 P04637 7/20 0.67
ALOX15 P16050 4/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
GAA P10253 3/20 0.67
LMNA P02545 3/20 0.67
HTT P42858 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
XBP1 P17861 1/20 0.56
HIF1A Q16665 1/20 0.56
GFER P55789 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HSD17B10 Q99714 5/20 0.53
CASP3 P42574 3/20 0.53

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
SCHEMBL20503682 0.91 MAPT (0.77) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1735158 0.90 MAPT (0.58) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL20503687 0.87 RAB9A (0.70) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL2489033 0.86 MAPT (0.71) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL25253936 0.86 MAPT (0.59) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1734740 0.83 MAPT (0.68) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL2488984 0.83 MAPT (0.75) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL2492941 0.83 MAPT (0.72) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL2245127 0.82 ESR1 (0.66) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL31410713 0.82 ESR1 (0.66) MAPTRAB9ASMN1; SMN2NPC1KDM4E

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
WO-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 WO disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed