SCHEMBL7814569

SCHEMBL7814569

CCOC(=O)CNc1cc(-n2ccnc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MAPT P10636 8/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GLA P06280 1/20 0.41
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DCTPP1 Q9H773 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8190261 0.84 LMNA (0.51) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL8192774 0.82 LMNA (0.49) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL8191460 0.82 LMNA (0.49) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL8190067 0.82 LMNA (0.49) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL8139111 0.82 MAPT (0.47) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL8191893 0.81 LMNA (0.48) LMNAMAPTALDH1A1KDM4EGLA
SCHEMBL8196364 0.80 LMNA (0.47) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL7811079 0.80 GLA (0.53) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL8191290 0.80 LMNA (0.43) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL8203993 0.79 MAPT (0.49) MAPTALDH1A1MEN1KMT2AMAPK1

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
EP-0784054-B1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVES AND USE AS GLUTAMATE RECEPTOR ANTAGONISTS YAMANOUCHI PHARMA CO LTD (JP) 2001-11-28 EP disclosed
CN-1067387-C 1,2,3,4-tetrahydroquinoxalindione derivative YAMANOUCHI PHARMA CO LTD (JP) 2001-06-20 CN disclosed