SCHEMBL19820133

SCHEMBL19820133

O=C(OCc1ccccc1)c1nc(I)nc(C(=O)OCc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
KMT2A Q03164 2/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
ALDH1A1 P00352 6/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 3/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP12 P39900 2/20 0.45
MMP1 P03956 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45

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
SCHEMBL18608206 0.97 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL14768871 0.91 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19851896 0.90 TDP1 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL18630437 0.90 TDP1 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19779304 0.87 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19772861 0.84 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19928471 0.83 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL26491203 0.83 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19996729 0.83 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19902247 0.82 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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-9882143-B2 Amine-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-30 US disclosed