SCHEMBL9703477

SCHEMBL9703477

CCOC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 4/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.46
PKM P14618 3/20 0.46
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL9703434 0.80 MEN1 (0.56) MEN1KMT2AHPGDMAPTPOLB
SCHEMBL9703710 0.80 LMNA (0.46) MEN1KMT2AHPGDMAPTPOLB
SCHEMBL9703465 0.78 MAPT (0.48) KMT2AMAPTPOLBALDH1A1PKM
SCHEMBL9703469 0.78 MAPT (0.48) KMT2AMAPTPOLBALDH1A1PKM
SCHEMBL30623198 0.78 PKM (0.67) MEN1KMT2AHPGDMAPTPOLB
SCHEMBL9703402 0.78 PKM (0.67) MEN1KMT2AHPGDMAPTPOLB
SCHEMBL30684288 0.78 OPRK1 (0.43) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL26912419 0.78 OPRK1 (0.43) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL20165830 0.77 KMT2A (0.46) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL26215402 0.76 MEN1 (0.69) MEN1KMT2AHPGDMAPTPOLB

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