SCHEMBL9703710

SCHEMBL9703710

CCOC(=O)CC(=O)Nc1c([N+](=O)[O-])ccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
NLRP3 Q96P20 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL27893370 0.84 LMNA (0.52) LMNAPKML3MBTL1THRBPOLB
SCHEMBL13405571 0.83 KMT2A (0.48) LMNAMEN1KMT2APKML3MBTL1
SCHEMBL9704149 0.80 HPGD (0.47) LMNAMEN1HPGDKMT2APKM
SCHEMBL9703477 0.80 MEN1 (0.50) LMNAMEN1HPGDKMT2APKM
SCHEMBL2024670 0.78 NLRP3 (0.52) LMNAMEN1KMT2APKMTSHR
SCHEMBL3706025 0.78 L3MBTL1 (0.69) LMNAMEN1HPGDKMT2APKM
SCHEMBL11015444 0.77 TDP1 (0.53) LMNAMEN1KMT2APOLBTDP1
SCHEMBL30623198 0.75 PKM (0.67) LMNAMEN1HPGDKMT2APKM
SCHEMBL9703402 0.75 PKM (0.67) LMNAMEN1HPGDKMT2APKM
SCHEMBL273112 0.74 LMNA (0.45) LMNAMEN1HPGDKMT2AL3MBTL1

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