SCHEMBL19974517

SCHEMBL19974517

CCCCOC(=O)NNC(=O)C=CC(=O)Nc1nccs1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.73
LMNA P02545 3/20 0.62
MAPT P10636 2/20 0.62
HTT P42858 1/20 0.62
PKM P14618 3/20 0.53
RAB9A P51151 6/20 0.51
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 5/20 0.46
KDM4E B2RXH2 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
KMT2A Q03164 2/20 0.46
RELA Q04206 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44

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
SCHEMBL23657167 0.88 MAPT (0.77) L3MBTL1LMNAMAPTHTTPKM
SCHEMBL10809546 0.85 L3MBTL1 (1.00) L3MBTL1LMNAMAPTHTTPKM
SCHEMBL29814845 0.81 L3MBTL1 (0.92) L3MBTL1LMNAMAPTHTTPKM
SCHEMBL19974170 0.79 LMNA (0.56) L3MBTL1LMNAMAPTHTTRAB9A
SCHEMBL19974284 0.77 MAPT (1.00) L3MBTL1LMNAMAPTHTTPKM
SCHEMBL19974162 0.76 LMNA (0.65) L3MBTL1LMNAMAPTHTTPKM
SCHEMBL19974421 0.75 LMNA (0.68) L3MBTL1LMNAMAPTHTTPKM
SCHEMBL23657159 0.74 LMNA (0.74) L3MBTL1LMNAMAPTHTTPKM
SCHEMBL19974520 0.73 LMNA (0.55) L3MBTL1LMNAMAPTHTTPKM
SCHEMBL19974516 0.73 LMNA (0.55) L3MBTL1LMNAMAPTHTTPKM

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
EP-3512602-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF Pharmaceuticals (CH) 2019-07-24 EP disclosed
WO-2018050656-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF PHARMACEUTICALS (CH) 2018-03-22 WO disclosed