SCHEMBL20180179

SCHEMBL20180179

CC1(C)OB(c2cccc(Nc3ccccc3N)c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
GAA P10253 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.41
APP P05067 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
SNCA P37840 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL20180180 0.86 EGFR (0.41) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL25491284 0.84 EGFR (0.42) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL3758531 0.82 LIPG (0.50) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL20180556 0.80 EGFR (0.39) EGFRLPLLIPGPDGFRBKDR
SCHEMBL20180132 0.80 EGFR (0.42) HPGDEGFRLPLLIPGPDGFRB
SCHEMBL7166854 0.78 MAPT (0.47) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL20180263 0.76 EGFR (0.39) MAPTALOX15EGFRLPLLIPG
SCHEMBL29611597 0.76 LIPG (0.49) EGFRLPLLIPGPDGFRBKDR
SCHEMBL150942 0.76 LIPG (0.49) EGFRLPLLIPGPDGFRBKDR
SCHEMBL21471557 0.76 HDAC2 (0.54) MEN1KMT2ARAB9ACA1CA2

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