SCHEMBL28522107

SCHEMBL28522107

O=C(OF)c1cc2cccc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.70
MAPT P10636 4/20 0.56
MAPK1 P28482 3/20 0.56
PLCG2 P16885 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HRH4 Q9H3N8 1/20 0.56
THRB P10828 2/20 0.54
XDH P47989 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
PYGL P06737 1/20 0.44
PYGM P11217 1/20 0.44
FBP1 P09467 5/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NOS3 P29474 1/20 0.42

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
SCHEMBL1277489 0.86 APEX1 (0.70) APEX1MAPTMAPK1PLCG2NPC1
SCHEMBL1016404 0.83 APEX1 (0.65) APEX1MAPTMAPK1PLCG2NPC1
SCHEMBL1277212 0.82 APEX1 (1.00) APEX1MAPTMAPK1PLCG2NPC1
SCHEMBL5268675 0.82 APEX1 (1.00) APEX1MAPTMAPK1PLCG2NPC1
SCHEMBL1653052 0.81 APEX1 (0.76) APEX1MAPTMAPK1PLCG2NPC1
SCHEMBL6215530 0.78 APEX1 (0.70) APEX1MAPTMAPK1PLCG2NPC1
SCHEMBL1654091 0.77 APEX1 (0.69) APEX1MAPTMAPK1PLCG2NPC1
SCHEMBL25191965 0.76 APEX1 (0.56) APEX1MAPTMAPK1PLCG2NPC1
SCHEMBL3726872 0.75 APEX1 (0.82) APEX1MAPTMAPK1PLCG2NPC1
SCHEMBL27942805 0.73 APEX1 (0.68) APEX1MAPTMAPK1PLCG2NPC1

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-112321478-A Synthetic method of 4-fluoro-7-nitroindole or derivative thereof 上海代为化学科技有限公司 2021-02-05 CN disclosed