SCHEMBL9704448

SCHEMBL9704448

CCOC(=O)C(=NO)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
G6PD P11413 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PKM P14618 1/20 0.43
IDH1 O75874 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
SCHEMBL9704444 1.00 MAPT (0.56) MAPTL3MBTL1LMNAHTTNPSR1
SCHEMBL9704228 0.91 MAPT (0.53) MAPTL3MBTL1LMNAHTTNPSR1
SCHEMBL9704235 0.91 MAPT (0.53) MAPTL3MBTL1LMNAHTTNPSR1
SCHEMBL9093727 0.88 L3MBTL1 (0.61) MAPTL3MBTL1LMNAHTTNPSR1
SCHEMBL9704920 0.82 MAPT (0.51) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL9704912 0.82 MAPT (0.51) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL25355512 0.81 MAPT (0.59) MAPTL3MBTL1LMNAMAPK1ALDH1A1
SCHEMBL9704072 0.80 KMT2A (0.48) MAPTL3MBTL1LMNAMAPK1ALDH1A1
SCHEMBL9704079 0.80 KMT2A (0.48) MAPTL3MBTL1LMNAMAPK1ALDH1A1
SCHEMBL9365284 0.79 PKM (0.59) MAPTL3MBTL1LMNAHTTMAPK1

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