SCHEMBL6283250

SCHEMBL6283250

O=C1Nc2ccc(N3CCCCC3)cc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.57
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
CASP9 P55211 1/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ERBB2 P04626 1/20 0.51
TGM2 P21980 5/20 0.50
CES1 P23141 3/20 0.50
KIF11 P52732 2/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL9512923 0.76 ALDH1A1 (0.61) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL29204334 0.76 ALDH1A1 (0.61) MEN1ALDH1A1MAPTALOX15KMT2A
Hydrochloric Acid SCHEMBL11750902 0.75 ALDH1A1 (0.56) MEN1ALDH1A1MAPTALOX15KMT2A
Hydrochloric Acid SCHEMBL11750895 0.75 ALDH1A1 (0.56) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL4851463 0.74 CHEK1 (0.56) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL5631829 0.74 ALDH1A1 (0.54) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL14983928 0.74 ALDH1A1 (0.54) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL31175908 0.73 CASP3 (1.00) CASP3CASP1CASP7CASP9
SCHEMBL6535562 0.73 CASP3 (1.00) CASP3CASP1CASP7CASP9
SCHEMBL9098720 0.72 GAA (0.57) MEN1KMT2A

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-6906090-B1 Compositions and methods for treating mycobacterial diseases ASTRAZENECA AB (SE) 2005-06-14 US disclosed
EP-1058548-B1 THE USE OF ISATIN AND OXINDOLE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR USE IN THE TREATMENT OF MYCOBACTERIAL DISEASE ASTRAZENECA AB (SE) 2003-09-17 EP disclosed
EP-1058548-A1 NEW USE AstraZeneca AB (SE) 2000-12-13 EP disclosed
WO-1999044608-A1 NEW USE ASTRAZENECA AB (SE) 1999-09-10 WO disclosed