SCHEMBL29170682

SCHEMBL29170682

CC(=O)CCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
GLA P06280 2/20 0.66
MAPT P10636 11/20 0.59
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 1/20 0.53
MPI P34949 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL6259751 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL28935012 0.83 MAPT (0.62) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL14252852 0.82 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL9003269 0.82 MAPT (0.70) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL4829895 0.80 MAPT (0.57) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL6200108 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL1024700 0.79 MAPT (0.61) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL10489391 0.79 MAPT (0.72) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL9509667 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL4951837 0.78 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2GLAMAPTKDM4E

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-117443380-A Biochar-supported iron catalyst and application thereof 浙江大学衢州研究院 2024-01-26 CN disclosed