SCHEMBL4920814

SCHEMBL4920814

Nc1nc(N)nc(C=Cc2ccc(C=Cc3nc(N)nc(N)n3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP19A1 P11511 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM4 Q14833 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
APP P05067 1/20 0.39
HCRTR1 O43613 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4912865 0.89 HRH4 (0.43) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL4912873 0.89 HRH4 (0.43) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL31484371 0.89 HRH4 (0.58) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL28773675 0.89 HRH4 (0.58) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL2499503 0.87 MAPT (0.48) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL2499501 0.87 MAPT (0.48) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL9618347 0.78 PTPN1 (0.54) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL9618346 0.78 PTPN1 (0.54) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL4920839 0.77 METAP1 (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4920823 0.77 METAP1 (0.51) MAPTMEN1KMT2AKDM4EALDH1A1

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
US-20080171146-A1 Vapor deposited electro-optic films self-assembled through hydrogen bonding MARKS TOBIN J 2008-07-17 US disclosed
US-7291293-B2 Chromophore comprising pyrimidin-2,4,6-trione and/or pyrrolidinedione/2,5-/ derivative with diaminomelamine or aminopurinone groups; quality, thickness; electrooptic films; acentric microstructure NORTHWESTERN UNIVERSITY (US) 2007-11-06 US disclosed