SCHEMBL12334432

SCHEMBL12334432

O=C(OCI)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.71
▸ APAF1 O14727 11/20 0.71
▸ ALDH1A1 P00352 8/20 0.71
▸ POLB P06746 5/20 0.71
▸ L3MBTL1 Q9Y468 4/20 0.70
▸ GAA P10253 2/20 0.70
▸ CASP3 P42574 1/20 0.70
▸ SENP8 Q96LD8 1/20 0.70
▸ SENP7 Q9BQF6 1/20 0.70
▸ SENP6 Q9GZR1 1/20 0.70
▸ KDM4E B2RXH2 7/20 0.62
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ HPGD P15428 3/20 0.62
▸ CDC25A P30304 2/20 0.61
▸ CDC25B P30305 2/20 0.61
▸ NPC1 O15118 6/20 0.48
▸ LMNA P02545 4/20 0.48
▸ HTT P42858 4/20 0.48
▸ MITF O75030 3/20 0.48
▸ KLF5 Q13887 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
SCHEMBL12334430 0.90 MAPT (0.73) MAPTAPAF1ALDH1A1POLBL3MBTL1
SCHEMBL14777433 0.87 MAPT (0.79) MAPTAPAF1ALDH1A1POLBL3MBTL1
SCHEMBL16297010 0.79 MAPT (0.80) MAPTAPAF1ALDH1A1POLBL3MBTL1
SCHEMBL12333609 0.77 CDC25A (0.98) MAPTAPAF1ALDH1A1POLBL3MBTL1
SCHEMBL12010991 0.76 MAPT (0.71) MAPTAPAF1ALDH1A1POLBL3MBTL1
SCHEMBL2525803 0.72 MAPT (0.68) MAPTAPAF1ALDH1A1POLBL3MBTL1
SCHEMBL14777698 0.72 MAPT (0.67) MAPTAPAF1ALDH1A1POLBL3MBTL1
SCHEMBL2467093 0.72 APAF1 (0.80) MAPTAPAF1ALDH1A1POLBL3MBTL1
SCHEMBL16296982 0.72 MAPT (0.67) MAPTAPAF1ALDH1A1POLBL3MBTL1
SCHEMBL19625600 0.70 MAPT (0.69) MAPTAPAF1ALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 — — WO disclosed
Send feedback