SCHEMBL29066528

SCHEMBL29066528

CCCOC(=O)CN(C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD7 P0C870 1/20 0.48
MAPT P10636 10/20 0.47
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 2/20 0.44
ALOX12 P18054 2/20 0.44
GAA P10253 2/20 0.44
CCR6 P51684 1/20 0.44
CTSB P07858 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
BRD4 O60885 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL29066517 0.92 JMJD7 (0.49) JMJD7MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL23698662 0.89 JMJD7 (0.52) JMJD7MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL29066525 0.86 JMJD7 (0.49) JMJD7MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL30421287 0.86 JMJD7 (0.53) JMJD7MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL21816873 0.86 JMJD7 (0.53) JMJD7MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL29066512 0.85 JMJD7 (0.48) JMJD7MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL29066542 0.84 JMJD7 (0.47) JMJD7MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL21816884 0.83 CTSB (0.47) JMJD7MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL29066536 0.82 JMJD7 (0.48) JMJD7MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL30421570 0.82 JMJD7 (0.48) JMJD7MAPTALDH1A1L3MBTL1MAPK1

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-116283763-A Nitroquinoline prodrug, preparation method and application thereof 江苏亚虹医药科技股份有限公司 2023-06-23 CN disclosed