SCHEMBL28213722

SCHEMBL28213722

Cc1nn(F)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ELANE P08246 4/20 0.41
F2 P00734 2/20 0.41
PLAU P00749 2/20 0.41
CTRB1 P17538 2/20 0.41
CNR2 P34972 2/20 0.41
KLKB1 P03952 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP1A2 P05177 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
SCHEMBL29741986 0.83 L3MBTL1 (0.63) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL12193567 0.83 L3MBTL1 (0.63) MAPTL3MBTL1MEN1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL27978075 0.81 L3MBTL1 (0.62) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL14923447 0.80 CNR2 (0.52) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL264907 0.79 ADORA2A (0.54) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL2145033 0.78 ELANE (0.53) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL14923501 0.77 MAPT (0.45) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL14910849 0.77 MAPT (0.47) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL30615548 0.76 MAPT (0.53) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL28495928 0.76 MAPT (0.53) MAPTL3MBTL1MEN1KMT2ALMNA

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-108026065-A Indazole and azaindazole compounds as IRAK-4 inhibitors 奥列基因发现技术有限公司 2018-05-11 CN disclosed