SCHEMBL4912873

SCHEMBL4912873

Nc1nc(N)nc(C=Cc2ccc(C=O)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2A6 P11509 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HCRTR1 O43613 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
GRM4 Q14833 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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 1.00 HRH4 (0.43) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL4920814 0.89 HRH4 (0.49) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL29280943 0.85 CYP2A6 (0.48) LMNAHSD17B10KDM4EALDH1A1CYP2A6
SCHEMBL28773675 0.79 HRH4 (0.58) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL31484371 0.79 HRH4 (0.58) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL2499503 0.78 MAPT (0.48) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL2499501 0.78 MAPT (0.48) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL14010594 0.76 ALDH1A1 (0.38) HRH4MAPTHSD17B10KDM4EALDH1A1
SCHEMBL9004502 0.75 CYP2A6 (0.58) KMT2AHSD17B10KDM4EALDH1A1CYP2A6
SCHEMBL4195180 0.75 CYP2A6 (0.58) KMT2AHSD17B10KDM4EALDH1A1CYP2A6

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-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
US-20050127337-A1 Vapor deposited electro-optic films self-assembled through hydrogen bonding NORTHWESTERN UNIVERSITY 2005-06-16 US disclosed
WO-2004079434-A2 VAPOR DEPOSITED ELECTRO-OPTIC FILMS SELF-ASSEMBLED THROUGH HYDROGEN BONDING NORTHWESTERN UNIVERSITY (US) 2004-09-16 WO disclosed