SCHEMBL27460313

SCHEMBL27460313

NC(=O)OCc1ccc(N)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
PKM P14618 2/20 0.36
USP2 O75604 2/20 0.36
POLB P06746 2/20 0.36
THRB P10828 2/20 0.36
RECQL P46063 2/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36
GAA P10253 5/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 2/20 0.35
NQO1 P15559 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP1A2 P05177 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL23093951 0.85 THRB (0.40) MAPTMEN1KMT2ATDP1PKM
SCHEMBL13586896 0.84 ALDH1A1 (0.43) MAPTMEN1KMT2ATDP1PKM
SCHEMBL28698320 0.82 L3MBTL1 (0.43) MAPTMEN1KMT2ATDP1PKM
SCHEMBL28717892 0.82 IDO1 (0.41) POLBHTTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL13586903 0.81 ALDH1A1 (0.41) MAPTMEN1KMT2ATDP1PKM
SCHEMBL10718237 0.80 THRB (0.37) MAPTMEN1KMT2ATDP1PKM
SCHEMBL27639799 0.80 GAA (0.59) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL16291117 0.79 CYP3A4 (0.41) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL5026452 0.78 NR1H4 (0.37) MAPTGAAMAPK1HTTTSHR
SCHEMBL13586900 0.78 ALDH1A1 (0.38) MAPTMEN1KMT2AUSP2POLB

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
CN-1141002-A Labeled chemotactic peptides for imaging of sites of infection or inflammation lesions GEN HOSPITAL CORP (US) 1997-01-22 CN disclosed