SCHEMBL27464657

SCHEMBL27464657

CC(C)(C)OC(=O)C1CCN(CCc2cc([N+](=O)[O-])cc3c2NC(O)C(O)N3)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
MAPT P10636 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.34
GALR3 O60755 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL27463412 0.86 HTR2A (0.43) HTR2ATDP1POLBALDH1A1KDM4E
SCHEMBL8090280 0.78
SCHEMBL27463411 0.76 KDM4E (0.45) HTR2ATDP1POLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27501666 0.75 KDM4E (0.44) TDP1L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL27487244 0.73 ACHE (0.47) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL27443125 0.71 KDM4E (0.49) POLBALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL27463407 0.70 LMNA (0.44) MAPTTDP1POLBL3MBTL1ALDH1A1
SCHEMBL27504042 0.70 LMNA (0.44) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL27462956 0.69 LMNA (0.44) L3MBTL1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL27445303 0.69 LMNA (0.44) L3MBTL1ALDH1A1KDM4ELMNASMN1; SMN2

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-1137886-C 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives ��˹��ŵ�� 2004-02-11 CN disclosed
CN-1193968-A 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives NOVARTIS AG (CH) 1998-09-23 CN disclosed