SCHEMBL29217593

SCHEMBL29217593

COc1c([N+](=O)[O-])ccc2c(C#N)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CTSB P07858 8/20 0.39
GRM6 O15303 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
PIN1 Q13526 1/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
NPC1 O15118 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL30626605 0.83 MAPT (0.37) MEN1KMT2ASMN1; SMN2CTSBALDH1A1
SCHEMBL29126349 0.83 MAPT (0.37) MEN1KMT2ASMN1; SMN2CTSBALDH1A1
SCHEMBL24716663 0.80 KMT2A (0.50) MEN1KMT2ASMN1; SMN2CTSBALDH1A1
SCHEMBL22500864 0.79 MEN1 (0.42) MEN1KMT2ASMN1; SMN2CTSBALDH1A1
SCHEMBL24715896 0.79 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CTSBALDH1A1
SCHEMBL24716066 0.79 MAPT (0.48) MEN1KMT2ASMN1; SMN2CTSBALDH1A1
SCHEMBL22501504 0.79 KMT2A (0.60) MEN1KMT2ASMN1; SMN2CTSBPIN1
SCHEMBL25248042 0.77 MEN1 (0.46) MEN1KMT2ASMN1; SMN2CTSBPIN1
SCHEMBL24715852 0.77 SLC6A3 (0.35) ALDH1A1KDM4EIDO1HSP90AA1CASP6
SCHEMBL29217777 0.76 MEN1 (0.40) MEN1KMT2ASMN1; SMN2CTSBALDH1A1

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