SCHEMBL7680352

SCHEMBL7680352

O=C(O)C1C(=O)N(O)c2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 3/20 0.47
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NOTUM Q6P988 3/20 0.38
MYC P01106 2/20 0.36
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
HTT P42858 1/20 0.34
NR4A1 P22736 1/20 0.33
GAA P10253 1/20 0.33
AGTR1 P30556 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8583509 0.76 AADAT (0.51) AADATMAPTL3MBTL1ALDH1A1HTT
SCHEMBL15075938 0.69 CACNB4 (0.41) TP53
SCHEMBL17397034 0.66 TTR (0.36) L3MBTL1ALDH1A1TSHRTP53CASP1
SCHEMBL2125876 0.64 AADAT (1.00) AADAT
SCHEMBL7423257 0.64 AADAT (1.00) AADAT
SCHEMBL9274636 0.62 AADAT (0.38) AADATALOX15HSD17B10MYCMAPT
Hydrochloric Acid SCHEMBL8889533 0.62 AADAT (0.97) AADAT
SCHEMBL3874189 0.62 AHR (0.47) HSD17B10MAPTPOLBALDH1A1GAA
SCHEMBL38660412 0.61 CA12 (0.39) AADATPOLB
SCHEMBL28701831 0.60 OPRK1 (0.44) AADATALOX15HSD17B10MYCMAPT

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