SCHEMBL2490949

SCHEMBL2490949

O=C(O)C(=O)Nc1ncn[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 12/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TTR P02766 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL2555021 0.67 ALPL (1.00) ALPLKMT2ALMNAMAPTALOX15
SCHEMBL2592304 0.64 TSHR (0.46) ALPLKMT2ACYP1A2TSHRPOLB
SCHEMBL1947309 0.63
SCHEMBL23143333 0.62 ALPL (0.43) ALPLKMT2ALMNAMAPTALOX15
Water SCHEMBL23909393 0.61
Water SCHEMBL23909392 0.61 NPSR1 (0.49) ALPLKMT2ALMNAALOX15CYP1A2
SCHEMBL11724643 0.61 LMNA (0.50) KMT2ALMNAKDM4EGAAHTT
SCHEMBL20099441 0.60 ALPL (0.45) ALPLKMT2AALOX15CYP1A2KDM4E
SCHEMBL7448720 0.58
SCHEMBL10495628 0.58 PTPN11 (0.74) KMT2AMEN1

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