SCHEMBL9704079

SCHEMBL9704079

CCOC(=O)C(=NO)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MAPT P10636 13/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 6/20 0.46
KCNMA1 Q12791 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PTGER4 P35408 1/20 0.43
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL9704072 1.00 KMT2A (0.48) KMT2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL8135626 0.88 ALDH1A1 (0.58) KMT2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL9704235 0.87 MAPT (0.53) KMT2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL9704228 0.87 MAPT (0.53) KMT2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL9705730 0.86 KMT2A (0.50) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL9705734 0.86 KMT2A (0.50) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL9704444 0.80 MAPT (0.56) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL9704448 0.80 MAPT (0.56) KMT2AMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL8139487 0.79 ALDH1A1 (0.58) KMT2AMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL8135625 0.78 KCNMA1 (0.55) KMT2AMAPTMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 WO disclosed