SCHEMBL20180559

SCHEMBL20180559

Nc1ccccc1Nc1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
GAA P10253 5/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
APP P05067 1/20 0.47
ALOX15 P16050 1/20 0.47
SNCA P37840 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7171246 0.86 MAPT (0.67) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL18020247 0.84 ABCG2 (0.50) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL23099339 0.81 MAPK14 (0.51) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL23561452 0.79 MEN1 (0.58) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL20108954 0.79 ABCG2 (0.49) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL20180402 0.78 SIRT2 (0.43) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL17533031 0.77 MAPT (0.64) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL23099345 0.77 MAPK14 (0.55) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL7166997 0.77 MAPT (0.75) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL22497669 0.77 HDAC1 (0.56) MAPTGAAALDH1A1KDM4ELMNA

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
WO-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed