SCHEMBL7683703

SCHEMBL7683703

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 4/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PDE7A Q13946 1/20 0.48
HPGD P15428 4/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
PKM P14618 1/20 0.45

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 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7683695 0.93 KDM4E (0.52) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7678134 0.89 MAPK1 (0.46) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7678123 0.89 MAPK1 (0.46) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL27405293 0.84 LMNA (0.51) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL29178312 0.84 PDE7A (0.52) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7674667 0.83 MEN1 (0.42) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7674671 0.83 MEN1 (0.42) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7678122 0.81 TSHR (0.50) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7682013 0.81 MAPT (0.52) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A

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