SCHEMBL29066538

SCHEMBL29066538

CCN(CC)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
MAPT P10636 9/20 0.58
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
MAPK1 P28482 1/20 0.58
JMJD7 P0C870 1/20 0.55
LMNA P02545 5/20 0.52
KMT2A Q03164 4/20 0.52
CTSB P07858 4/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALOX12 P18054 2/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 1/20 0.52
BRD4 O60885 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52

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
SCHEMBL29066519 0.91 KDM4E (0.56) KDM4EMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL29066526 0.89 KDM4E (0.54) KDM4EMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL23698707 0.87 KDM4E (0.65) KDM4EMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL29066537 0.85 JMJD7 (0.56) KDM4EMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL28433932 0.83 JMJD7 (0.57) KDM4EMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL30421287 0.83 JMJD7 (0.53) KDM4EMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL21816873 0.83 JMJD7 (0.53) KDM4EMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL23698662 0.82 JMJD7 (0.52) KDM4EMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL29066517 0.82 JMJD7 (0.49) KDM4EMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL6974167 0.81 JMJD7 (0.63) KDM4EMAPTALDH1A1L3MBTL1MAPK1

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