SCHEMBL7680313

SCHEMBL7680313

O=C(O)C(C(=O)O)c1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GPR35 Q9HC97 1/20 0.44
CYP1A2 P05177 2/20 0.44
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
VCAM1 P19320 2/20 0.42
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7680328 1.00 ALDH1A1 (0.46) ALDH1A1GPR35CYP1A2GRM8GRM4
SCHEMBL19210852 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL29444506 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL4076713 0.80 GPR35 (0.44) ALDH1A1GPR35CYP1A2GRM8GRM4
SCHEMBL4076707 0.80 GPR35 (0.44) ALDH1A1GPR35CYP1A2GRM8GRM4
SCHEMBL28768690 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL27783994 0.79 HPGD (0.47) ALDH1A1GPR35MEN1KMT2ATDP1
SCHEMBL8135421 0.79 GPR35 (0.50) ALDH1A1GPR35CYP1A2GRM8GRM4
SCHEMBL8135423 0.79 GPR35 (0.50) ALDH1A1GPR35CYP1A2GRM8GRM4
SCHEMBL27760563 0.79 ALDH1A1 (0.51) ALDH1A1GPR35MEN1KMT2ATDP1

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