SCHEMBL7683695

SCHEMBL7683695

O=C(CC(=O)Oc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PDE7A Q13946 1/20 0.51
LMNA P02545 4/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 4/20 0.50
MAPK1 P28482 3/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
S1PR4 O95977 1/20 0.47

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
SCHEMBL7683699 0.93 ALDH1A1 (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL7683703 0.93 ALDH1A1 (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL29178312 0.88 PDE7A (0.52) KDM4ESMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL27405293 0.88 LMNA (0.51) KDM4ESMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL7678122 0.88 TSHR (0.50) KDM4ESMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL27633813 0.83 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL11644003 0.82 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL27677809 0.81 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL7674664 0.81 ABCB1 (0.43) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL7678123 0.81 MAPK1 (0.46) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469181-B1 PREPARING 2-OXINDOLES AND N-HYROXY-2- OXINDOLES VIA REDUCTION OF 2-NITROARYLMALONATE DIESTERS WITHOUT ISOLATION OF INTERMEDIATES CATALYTICA, INC. 2002-10-22 US disclosed
EP-0809631-A4 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA INC (US) 1998-07-08 EP disclosed
EP-0809631-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1997-12-03 EP disclosed
WO-1996023770-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1996-08-08 WO disclosed