SCHEMBL5313746

SCHEMBL5313746

COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.81
ALDH1A1 P00352 7/20 0.81
LMNA P02545 3/20 0.81
SMN1; SMN2 Q16637 2/20 0.81
KMT2A Q03164 4/20 0.71
MAPT P10636 3/20 0.67
HPGD P15428 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
BCHE P06276 2/20 0.60
ACHE P22303 2/20 0.60
EPHX2 P34913 1/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 2/20 0.57
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL604694 0.88 GAA (0.68) GAAALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3653095 0.86 EPHX2 (0.77) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL5454920 0.81 KMT2A (0.79) ALDH1A1LMNAKMT2AMAPTHPGD
SCHEMBL3808723 0.80 GAA (1.00) GAAALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL22289851 0.79 MAPT (0.74) GAAALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL28020357 0.77 BCHE (0.68) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL13979988 0.76 NPSR1 (0.59) GAAALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL28618230 0.75 CHEK1 (0.63) GAAALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL11275576 0.74 KMT2A (0.67) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL1645810 0.74 KMT2A (0.71) GAAALDH1A1LMNASMN1; SMN2KMT2A

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-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO disclosed