SCHEMBL2488992

SCHEMBL2488992

CC(C)Nc1nc(O)nc(NC(C)C)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
HTT P42858 3/20 0.58
MAPK1 P28482 2/20 0.58
F2 P00734 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.48
KCNH3 Q9ULD8 2/20 0.47
MAPT P10636 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL640439 0.95 GAA (0.52) GAATDP1HTTMAPK1F2
SCHEMBL8041736 0.86 GAA (0.74) GAATDP1HTTMAPK1F2
SCHEMBL637767 0.85 HTT (0.58) GAATDP1HTTMAPK1F2
SCHEMBL3194672 0.84 KMT2A (0.46) GAATDP1HTTMAPK1F2
SCHEMBL29368367 0.76 GAA (0.61) GAATDP1HTTMAPK1F2
SCHEMBL9970686 0.76 GAA (0.61) GAATDP1HTTMAPK1F2
SCHEMBL20117984 0.76 GAA (0.61) GAATDP1HTTMAPK1F2
SCHEMBL14163414 0.75 ALDH1A1 (0.47) GAATDP1HTTMAPK1F2
SCHEMBL4961492 0.75 GAA (0.48) GAATDP1HTTMAPK1F2
SCHEMBL8612319 0.75 MAPK1 (0.39) GAATDP1HTTMAPK1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed
US-4816064-A PLANT GROWTH REGULATORS MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1989-03-28 US disclosed