SCHEMBL28844826

SCHEMBL28844826

CCOC(=O)C(C)=NNc1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
ACP1 P24666 1/20 0.44
MAPT P10636 8/20 0.43
ALOX12 P18054 2/20 0.43
MAPK1 P28482 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
GLO1 Q04760 1/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 2/20 0.41
AKR1B1 P15121 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KYAT1 Q16773 1/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL395721 0.82 GAA (0.68) GAAMAPTALOX12MAPK1ALDH1A1
SCHEMBL395720 0.82 GAA (0.68) GAAMAPTALOX12MAPK1ALDH1A1
SCHEMBL10289977 0.82 GAA (0.68) GAAMAPTALOX12MAPK1ALDH1A1
SCHEMBL14700455 0.81 GAA (0.57) GAAMAPTALOX12MAPK1ALDH1A1
SCHEMBL8940259 0.81 GAA (0.57) GAAMAPTALOX12MAPK1ALDH1A1
SCHEMBL8940260 0.81 GAA (0.57) GAAMAPTALOX12MAPK1ALDH1A1
SCHEMBL12501284 0.78 MAPT (0.56) GAAMAPTMAPK1ALDH1A1LMNA
SCHEMBL12501286 0.78 MAPT (0.56) GAAMAPTMAPK1ALDH1A1LMNA
SCHEMBL14651327 0.78 MAPT (0.56) GAAMAPTMAPK1ALDH1A1LMNA
SCHEMBL5491417 0.77 GAA (0.62) GAAMAPTALOX12MAPK1ALDH1A1

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-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed