SCHEMBL7684234

SCHEMBL7684234

CC(C)(C(=O)O)C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KIF18A Q8NI77 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 1/20 0.38
JMJD7 P0C870 1/20 0.38

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
SCHEMBL7677021 0.89 LMNA (0.48) MAPK1TSHRTDP1LMNASMN1; SMN2
SCHEMBL9597051 0.80 TSHR (0.51) MAPK1TSHRTDP1LMNASMN1; SMN2
SCHEMBL28811394 0.78 MAPK1 (0.44) MAPK1TSHRTDP1LMNASMN1; SMN2
SCHEMBL7684124 0.78 ELANE (0.46) MAPK1TSHRTDP1LMNAALDH1A1
SCHEMBL7673650 0.77 LMNA (0.47) MAPK1TSHRTDP1LMNASMN1; SMN2
SCHEMBL21580836 0.77 TSHR (0.51) MAPK1TSHRTDP1LMNASMN1; SMN2
SCHEMBL27559947 0.76 L3MBTL1 (0.48) MAPK1TSHRTDP1LMNASMN1; SMN2
SCHEMBL21580855 0.76 TSHR (0.47) MAPK1TSHRTDP1LMNASMN1; SMN2
SCHEMBL7683802 0.76 ABCB1 (0.40) TSHRTDP1POLBALDH1A1MEN1
SCHEMBL7678122 0.76 TSHR (0.50) MAPK1TSHRTDP1SMN1; SMN2ALDH1A1

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