SCHEMBL7675482

SCHEMBL7675482

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 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
SCHEMBL15498652 0.83 SLC6A4 (0.36) AADAT
SCHEMBL7680352 0.82 AADAT (0.47) AADATALDH1A1HSD17B10GAACASP1
SCHEMBL9384033 0.76 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL11776203 0.76 HDAC4 (0.52) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL8320575 0.73 ALDH1A1 (0.39) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL11780985 0.70 HDAC4 (0.52) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL15075740 0.70 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL9835412 0.69 CYP1A2 (0.42) ALDH1A1GAACYP2C9CYP2C19MAPT
SCHEMBL19380301 0.68 HDAC3 (0.40) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL13949592 0.67 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4EGAAHPGD

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