SCHEMBL23949801

SCHEMBL23949801

CC(=O)Nc1ccc(C(=O)CSc2nc[nH]n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD11B1 P28845 1/20 0.53
HDAC4 P56524 6/20 0.52
HDAC7 Q8WUI4 6/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC9 Q9UKV0 6/20 0.52
HDAC5 Q9UQL6 6/20 0.52
HDAC3 O15379 5/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC2 Q92769 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 2/20 0.49

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
SCHEMBL10986702 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HSD17B10HPGDALOX15
Bromide SCHEMBL10981546 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HSD17B10HPGDALOX15
Bromide SCHEMBL11197730 0.77 ALDH1A1 (0.55) GAAALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL17383098 0.76 HDAC3 (0.57) GAAALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL23949896 0.76 MEN1 (0.63) GAAALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL6566477 0.74 THRA (0.51) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL23949790 0.74 CA12 (0.48) ALDH1A1HDAC4HDAC7HDAC6HDAC9
SCHEMBL13401667 0.72 HDAC3 (0.61) GAAALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL14408087 0.72 ALDH1A1 (0.77) GAAALDH1A1SMN1; SMN2HPGDHSD11B1
SCHEMBL6934022 0.71 MAPT (0.65) GAAALDH1A1SMN1; SMN2HSD17B10ALOX15

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-2021209689-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING SWEET POTATO AGAINST SWEET POTATO PATHOGENIC VIRUSES HELSINGIN YLIOPISTO (FI) 2021-10-21 WO disclosed