SCHEMBL7318545

SCHEMBL7318545

CCOC(=O)NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
ALDH1A1 P00352 6/20 0.54
MAPT P10636 2/20 0.53
GAA P10253 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTT P42858 3/20 0.51
TP53 P04637 2/20 0.51
PPARG P37231 1/20 0.51
TSHR P16473 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL10421003 0.82 POLB (0.59) POLBALDH1A1MAPTGAAKDM4E
SCHEMBL7317448 0.82 GAA (0.59) POLBALDH1A1MAPTGAAKDM4E
SCHEMBL2702444 0.79 ALDH1A1 (0.79) ALDH1A1MAPTGAANPSR1HTT
SCHEMBL3834699 0.79 ALDH1A1 (0.57) POLBALDH1A1GAAKDM4ETDP1
SCHEMBL7571584 0.78 SLC40A1 (0.66) POLBALDH1A1MAPTGAAKDM4E
SCHEMBL13949767 0.76 POLB (0.68) POLBALDH1A1MAPTGAAKDM4E
SCHEMBL7569885 0.76 ALDH1A1 (0.59) POLBALDH1A1MAPTGAANPSR1
SCHEMBL1011405 0.76 KMT2A (0.63) POLBALDH1A1MAPTTDP1HTT
SCHEMBL10931486 0.75 MAPT (0.51) POLBALDH1A1MAPTGAATDP1
SCHEMBL11851628 0.75 GAA (0.49) ALDH1A1GAANPSR1TSHRSMN1; SMN2

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
US-6103720-A ENZYME INHIBITORS; ANTIICHEMIC AND -TUMOR AGENTS; STROKES; ALZEIMER'S DISEASE BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed
CN-1245486-A Ketobenzamides as calpain inhibitors BASF AG (DE) 2000-02-23 CN disclosed