SCHEMBL2492890

SCHEMBL2492890

CC(C)Nc1nc(Cl)nc(NO)n1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.79
TDP1 Q9NUW8 2/20 0.79
POLB P06746 1/20 0.47
KMT2A Q03164 4/20 0.46
HTT P42858 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
KCNH3 Q9ULD8 2/20 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
Propazine SCHEMBL8539531 0.89 GAA (1.00) GAATDP1POLBKMT2AHTT
Propazine SCHEMBL67521 0.89 GAA (1.00) GAATDP1POLBKMT2AHTT
SCHEMBL1923400 0.84 GAA (0.90) GAATDP1POLBKMT2AHTT
SCHEMBL2684956 0.81 GAA (0.83) GAATDP1POLBKMT2AHTT
SCHEMBL20814490 0.77 GAA (0.75) GAATDP1POLBKMT2AHTT
SCHEMBL14676977 0.77 TSHR (0.50) GAATDP1POLBKMT2AMAPK1
SCHEMBL8041736 0.76 GAA (0.74) GAATDP1KMT2AHTTMAPK1
Atrazine SCHEMBL9117361 0.76 GAA (0.73) GAATDP1POLBKMT2AHTT
Atrazine SCHEMBL1516439 0.76 GAA (0.73) GAATDP1POLBKMT2AHTT
Atrazine SCHEMBL4306269 0.76 GAA (0.73) GAATDP1POLBKMT2AHTT

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