SCHEMBL25568673

SCHEMBL25568673

CSc1ccccc1C(=O)N(C)N

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 5/20 0.47
HTT P42858 1/20 0.46
SLC6A3 Q01959 4/20 0.46
GAA P10253 2/20 0.45
KCNH2 Q12809 1/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL10496198 0.85 KMT2A (0.63) KMT2AMEN1SLC6A2SLC6A4HTT
SCHEMBL306171 0.79 KMT2A (0.56) KMT2AMEN1SLC6A2SLC6A4HTT
SCHEMBL17877660 0.76 KMT2A (0.54) KMT2AMEN1SLC6A2SLC6A4HTT
SCHEMBL30343474 0.76 KMT2A (0.54) KMT2AMEN1SLC6A2SLC6A4HTT
SCHEMBL701691 0.76 SIRT1 (0.60) KMT2AMEN1HTTGAAHPGD
SCHEMBL9669181 0.76 HTT (0.55) KMT2AMEN1HTTGAAHPGD
Iodide SCHEMBL7710889 0.75 SIRT1 (0.58) KMT2AMEN1HTTGAAHPGD
SCHEMBL9254635 0.75 KDM4E (0.53) KMT2AMEN1GAAHPGDALDH1A1
SCHEMBL29287849 0.75 KDM4E (0.54) KMT2AMEN1HTTGAAHPGD
SCHEMBL6832097 0.75 KMT2A (0.56) KMT2AMEN1HTTGAAHPGD

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-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed