SCHEMBL7811510

SCHEMBL7811510

CCOC(=O)CNc1cc(F)c(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CTSV O60911 3/20 0.50
CTSL P07711 3/20 0.50
CYP19A1 P11511 3/20 0.47
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
BRD4 O60885 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.40

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
SCHEMBL30724415 0.83 LMNA (0.58) LMNAPKMMAPTMEN1KMT2A
SCHEMBL8191101 0.83 LMNA (0.58) LMNAPKMMAPTMEN1KMT2A
SCHEMBL8190013 0.81 LMNA (0.64) LMNAPKML3MBTL1MAPTMEN1
SCHEMBL7807447 0.80 LMNA (0.45) LMNACTSVCTSLCYP19A1PKM
SCHEMBL9863059 0.80 LMNA (0.62) LMNAPKML3MBTL1MAPTMEN1
SCHEMBL8194578 0.79 LMNA (0.61) LMNAPKML3MBTL1MAPTKMT2A
SCHEMBL2682298 0.78 CTSV (0.49) LMNACTSVCTSLCYP19A1MAPT
SCHEMBL8197126 0.77 LMNA (0.59) LMNAPKML3MBTL1MAPTKMT2A
SCHEMBL8191379 0.77 LMNA (0.59) LMNAPKML3MBTL1MAPTKMT2A
SCHEMBL8190247 0.77 LMNA (0.66) LMNAPKMMAPTMEN1KMT2A

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 5 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
US-6096743-A 1,2,3,4-tetrahydroquinoxalinedione derivative YAMANOUCHI PHARMACEUTICALS CO., LTD. (JP) 2000-08-01 US disclosed
CN-1168670-A 1,2,3,4-tetrahydroquinoxalindione derivative YAMANOUCHI PHARMA CO LTD (JP) 1997-12-24 CN disclosed
EP-0784054-A1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-16 EP disclosed