SCHEMBL29217591

SCHEMBL29217591

COc1c(N)ccc(F)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.46
GRIN3B O60391 3/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
GRIN2B Q13224 3/20 0.46
GRIN2C Q14957 3/20 0.46
GRIN3A Q8TCU5 3/20 0.46
HTT P42858 1/20 0.45
TDP1 Q9NUW8 4/20 0.44
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 2/20 0.37
HIF1A Q16665 1/20 0.37
TSHR P16473 3/20 0.36

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
SCHEMBL24639446 0.81 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30079553 0.81 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8066551 0.77 MEN1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3756443 0.76 ALDH1A1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23035421 0.76 ALDH1A1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4298104 0.76 PKM (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28722120 0.74 SMN1; SMN2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7717395 0.74 HPRT1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15774527 0.74 HTT (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL622685 0.74 TDP1 (0.57) HTTTDP1KDM4EPOLBCTDSP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120035438-A Use of 8-hydroxyquinoline derivatives 江苏亚虹医药科技股份有限公司 2025-05-23 CN disclosed
CN-118059101-A Use of 8-hydroxyquinoline derivatives 江苏亚虹医药科技股份有限公司 2024-05-24 CN disclosed