SCHEMBL2491780

SCHEMBL2491780

CCC(C)Nc1nc(Cl)nc(NC(C)C)n1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.73
TDP1 Q9NUW8 1/20 0.73
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.44
F2 P00734 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL11044268 0.90 GAA (0.56) GAATDP1ALDH1A1KMT2AMEN1
Propazine SCHEMBL67521 0.85 GAA (1.00) GAATDP1ALDH1A1KMT2AMEN1
Propazine SCHEMBL8539531 0.85 GAA (1.00) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL136514 0.85 LMNA (0.68) GAATDP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11811514 0.83 GAA (0.70) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL2494097 0.81 GAA (0.47) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL23431921 0.81 GAA (0.61) GAATDP1ALDH1A1KMT2AMEN1
SCHEMBL1923400 0.81 GAA (0.90) GAATDP1ALDH1A1KMT2AMEN1
Atrazine SCHEMBL4306269 0.81 GAA (0.73) GAATDP1ALDH1A1KMT2AMEN1
Atrazine SCHEMBL20723465 0.81 GAA (0.73) GAATDP1ALDH1A1KMT2AMEN1

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 4 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