SCHEMBL20780352

SCHEMBL20780352

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccncc5)cc4)c3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPK13 O15264 1/20 0.48
GCGR P47871 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
PIK3CA P42336 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
SCHEMBL17720922 1.00 NOTUM (0.58) NOTUMSMN1; SMN2MAPTNPC1NFKB1
SCHEMBL18327485 1.00 NOTUM (0.58) NOTUMSMN1; SMN2MAPTNPC1NFKB1
SCHEMBL21982128 1.00 NOTUM (0.58) NOTUMSMN1; SMN2MAPTNPC1NFKB1
SCHEMBL18327496 1.00 NOTUM (0.58) NOTUMSMN1; SMN2MAPTNPC1NFKB1
SCHEMBL18134340 1.00 NOTUM (0.58) NOTUMSMN1; SMN2MAPTNPC1NFKB1
SCHEMBL21481328 0.98 NOTUM (0.56) NOTUMSMN1; SMN2MAPTNPC1NFKB1
SCHEMBL17720918 0.98 NOTUM (0.56) NOTUMSMN1; SMN2MAPTNPC1NFKB1
SCHEMBL23370643 0.98 NOTUM (0.60) NOTUMSMN1; SMN2MAPTNPC1NFKB1
SCHEMBL17945785 0.98 NOTUM (0.60) NOTUMSMN1; SMN2MAPTNPC1NFKB1
SCHEMBL17720916 0.98 NOTUM (0.60) NOTUMSMN1; SMN2MAPTNPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190074467-A1 SOLVENT COATABLE OLED EMITTER COMPOSITION CONTAINING NON-PLASMONIC MOLECULAR NOBLE METAL NANOPARTICLES AND EMITTER MATERIALS IN NONCRYSTALLIZABLE MOLECULAR ORGANIC SEMICONDUCTORS MOLECULAR GLASSES, INC. (US) 2019-03-07 US disclosed