SCHEMBL3951978

SCHEMBL3951978

CSc1ccc(NC(=O)C2C3CCC(O3)C2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
BLM P54132 1/20 0.71
LMNA P02545 5/20 0.69
TDP1 Q9NUW8 1/20 0.69
FPR2 P25090 4/20 0.62
PPM1B O75688 2/20 0.61
GAA P10253 1/20 0.60
KDM4E B2RXH2 3/20 0.53
HTT P42858 2/20 0.52
FPR1 P21462 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL3493983 0.83 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1BLMLMNA
SCHEMBL13311757 0.83 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1BLMLMNA
SCHEMBL3496402 0.83 ALDH1A1 (0.78) ALDH1A1KMT2AMEN1BLMLMNA
SCHEMBL3500228 0.82 ALDH1A1 (0.76) ALDH1A1KMT2AMEN1BLMLMNA
SCHEMBL3493897 0.82 KMT2A (0.76) ALDH1A1KMT2AMEN1BLMLMNA
SCHEMBL3495475 0.82 ALDH1A1 (0.76) ALDH1A1KMT2AMEN1BLMLMNA
SCHEMBL3496344 0.81 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1BLMLMNA
SCHEMBL3496110 0.81 GAA (0.71) ALDH1A1KMT2AMEN1BLMLMNA
SCHEMBL13311427 0.80 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1BLMLMNA
SCHEMBL3495484 0.78 LMNA (0.73) ALDH1A1KMT2AMEN1BLMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086534-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS Genetic Technologies Limited (AU) 2009-08-12 EP disclosed
WO-2008058342-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2008-05-22 WO disclosed