SCHEMBL795053

SCHEMBL795053

N=C(N)c1nc(O)nc(Nc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NFKB1 P19838 2/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KCNH3 Q9ULD8 3/20 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
SCHEMBL1151708 0.80 MEN1 (0.57) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL14921484 0.80 MEN1 (0.63) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL1193541 0.77 BCL6 (0.58) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL26418166 0.76 NPC1 (0.58) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL11225942 0.73 MEN1 (0.48) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL14445556 0.73 LMNA (0.69) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL633400 0.70 MEN1 (0.77) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL796546 0.69 NPC1 (0.50) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL7226196 0.69 MAPT (0.67) GAAMEN1MAPTKMT2AKDM4E
Diphenylamine SCHEMBL27258248 0.68 HSD17B10 (0.67) GAAMEN1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed