SCHEMBL9053949

SCHEMBL9053949

O=C1Nc2ccc(C3CCCCC3)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
CASP3 P42574 5/20 0.49
TGM2 P21980 5/20 0.49
CES1 P23141 3/20 0.49
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CAPN9 O14815 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9098040 1.00 EPHX2 (0.55) EPHX2CASP3TGM2CES1CASP1
SCHEMBL9097437 0.98 EPHX2 (0.53) EPHX2CASP3TGM2CES1CASP1
SCHEMBL1768001 0.92 TGM2 (0.53) CASP3TGM2CES1CASP1CASP7
Bicarbonate SCHEMBL1768040 0.89 MAOA (0.45) EPHX2CASP3TGM2CES1CASP1
Formic Acid SCHEMBL27886080 0.88 TGM2 (0.44) EPHX2CASP3TGM2CES1CASP1
SCHEMBL9389080 0.88 EPHX2 (0.78) EPHX2CASP3TGM2CES1CASP1
Bicarbonate SCHEMBL1768126 0.86 MAOA (0.47) CASP3TGM2CES1CASP1CASP7
SCHEMBL25826016 0.81 EPHX2 (0.49) EPHX2TGM2HSP90AA1GAAMAPT
SCHEMBL25825365 0.80 MAPT (0.48) EPHX2TGM2HSP90AA1GAAMAPT
SCHEMBL11519137 0.78 MAOA (0.55) EPHX2CASP3MAOAMAOBALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585378-A Composition containing an oxoindole compound AKTIEBOLAGET ASTRA (SE) 1996-12-17 US disclosed
EP-0703901-A1 1-SUBSTITUTED ISATIN AND OXINDOLE DERIVATIVES AS INHIBITORS OF ACETYLCHOLINESTERASE Astra Aktiebolag (SE) 1996-04-03 EP disclosed
WO-1994029272-A1 1-SUBSTITUTED ISATIN AND OXINDOLE DERIVATIVES AS INHIBITORS OF ACETYLCHOLINESTERASE ASTRA AKTIEBOLAG (SE) 1994-12-22 WO disclosed
EP-0624156-A1 ISATIN DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Astra Aktiebolag (SE) 1994-11-17 EP disclosed
CN-1079464-A Treatment comprises the preparation method of the valuable indolone of illness of cholinergic function reduction and the derivative of indole dione ASTRA AB (SE) 1993-12-15 CN disclosed
WO-1993012085-A1 ISATIN DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AKTIEBOLAGET ASTRA (SE) 1993-06-24 WO disclosed
CN-1009197-B Process for preparing N, 3-disubstituted 2-oxindole-1-carboxamides PFIZER (US) 1990-08-15 CN disclosed
CN-85103527-A Preparation N, the method for the disubstituted 2-hydroxyindole of 3--1-hydroxyalkyl cooh amide 1987-01-28 CN disclosed