SCHEMBL7683802

SCHEMBL7683802

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
TBXA2R P21731 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
ELANE P08246 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
S100A4 P26447 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PRSS1 P07477 1/20 0.36
TMPRSS15 P98073 1/20 0.36

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 0.84 LMNA (0.48) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL8583134 0.83 MAPT (0.48) ABCB1ABCC1ALDH1A1MEN1MAPT
SCHEMBL1068743 0.80 SMN1; SMN2 (0.50) ABCB1ABCC1ALDH1A1MEN1MAPT
SCHEMBL27661940 0.80 TBXA2R (0.45) ABCB1ABCC1ALDH1A1MEN1MAPT
SCHEMBL27892308 0.79 SMN1; SMN2 (0.49) ABCB1ABCC1ALDH1A1MEN1MAPT
SCHEMBL28965318 0.78 ABCB1 (0.42) ABCB1ABCC1ALDH1A1MEN1MAPT
SCHEMBL22321528 0.78 ABCB1 (0.42) ABCB1ABCC1ALDH1A1MEN1MAPT
SCHEMBL5773944 0.77 ABCB1 (0.43) ABCB1ABCC1ALDH1A1MEN1MAPT
SCHEMBL11643870 0.76 ABCB1 (0.44) ABCB1ABCC1ALDH1A1MEN1MAPT
SCHEMBL27714420 0.76 VCP (0.46) ABCB1ABCC1ALDH1A1MEN1MAPT

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