SCHEMBL8191963

SCHEMBL8191963

CCOC(=O)CCCNc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
KDM4E B2RXH2 1/20 0.67
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.48
KAT2B Q92831 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SIRT5 Q9NXA8 3/20 0.46
LMNA P02545 1/20 0.46
BCL6 P41182 1/20 0.45
BCOR Q6W2J9 1/20 0.45
PTGER4 P35408 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8191816 0.95 MAPT (0.61) MAPTKDM4EPOLBALDH1A1KAT2B
SCHEMBL7802433 0.85 LMNA (0.61) MAPTKDM4EPOLBALDH1A1NPC1
SCHEMBL8194564 0.82 ALDH1A1 (0.63) MAPTKDM4EPOLBALDH1A1KAT2B
SCHEMBL8191825 0.82 LMNA (0.46) MAPTKDM4EALDH1A1KAT2BSIRT5
SCHEMBL1283854 0.81 MAPT (0.54) MAPTPOLBALDH1A1KAT2BPKM
SCHEMBL6969883 0.81 MAPT (0.59) MAPTKDM4EALDH1A1KAT2BNPC1
SCHEMBL26665186 0.81 MAPT (0.53) MAPTKDM4EPOLBALDH1A1NPC1
SCHEMBL2028324 0.80 L3MBTL1 (0.51) MAPTALDH1A1PKMLMNAL3MBTL1
SCHEMBL8196345 0.79 SIRT5 (0.55) MAPTKAT2BNPC1SIRT5LMNA
SCHEMBL21824100 0.79 ALDH1A1 (0.59) MAPTKDM4EALDH1A1NPC1LMNA

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
WO-2023225369-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CELL-SPECIFIC PHARMACOLOGY DUKE UNIVERSITY (US) 2023-11-23 WO disclosed
WO-2023225369-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CELL-SPECIFIC PHARMACOLOGY DUKE UNIVERSITY (US) 2023-11-23 WO 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