SCHEMBL8196433

SCHEMBL8196433

CCOC(=O)CNc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.72
MAPT P10636 8/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 6/20 0.53
RAB9A P51151 2/20 0.53
PKM P14618 2/20 0.53
NPC1 O15118 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
PTGER4 P35408 1/20 0.50
MAPK1 P28482 4/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HCAR3 P49019 2/20 0.47
POLB P06746 1/20 0.46
GLA P06280 1/20 0.46
KCNMA1 Q12791 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL7802433 0.90 LMNA (0.61) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL3841711 0.88 LMNA (0.55) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL3597798 0.86 MAPT (0.74) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL8607862 0.85 LMNA (0.72) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL8190013 0.84 LMNA (0.64) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL9704241 0.84 MAPT (0.57) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL10582031 0.84 LMNA (0.70) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL3359357 0.84 LMNA (0.70) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL10582049 0.84 LMNA (0.70) LMNAMAPTKDM4EALDH1A1RAB9A
SCHEMBL9863059 0.83 LMNA (0.62) LMNAMAPTKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5246933-A Applying and killing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-21 US disclosed
WO-1993004049-A1 NEMATOCIDAL QUINOXALINE DERIVATIVES ZENECA LIMITED (GB) 1993-03-04 WO disclosed