SCHEMBL19974520

SCHEMBL19974520

CCCCN(NC(=O)C=CC(=O)Nc1nccs1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
HTT P42858 2/20 0.55
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 7/20 0.48
NPC1 O15118 5/20 0.48
KDM4E B2RXH2 3/20 0.48
TP53 P04637 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
KMT2A Q03164 2/20 0.48
RELA Q04206 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 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
SCHEMBL19974516 1.00 LMNA (0.55) LMNAMAPTHTTRAB9ASMN1; SMN2
SCHEMBL19974171 0.76 RAB9A (0.54) LMNAMAPTHTTRAB9ASMN1; SMN2
SCHEMBL19974169 0.76 RAB9A (0.54) LMNAMAPTHTTRAB9ASMN1; SMN2
SCHEMBL19974162 0.75 LMNA (0.65) LMNAMAPTHTTRAB9ASMN1; SMN2
SCHEMBL23657167 0.75 MAPT (0.77) LMNAMAPTHTTRAB9ASMN1; SMN2
SCHEMBL19974421 0.74 LMNA (0.68) LMNAMAPTHTTRAB9ASMN1; SMN2
SCHEMBL32690316 0.74 RAB9A (0.66) LMNAMAPTHTTRAB9ASMN1; SMN2
SCHEMBL19974151 0.74 RAB9A (0.66) LMNAMAPTHTTRAB9ASMN1; SMN2
SCHEMBL19974134 0.74 RAB9A (0.66) LMNAMAPTHTTRAB9ASMN1; SMN2
SCHEMBL19974517 0.73 L3MBTL1 (0.73) LMNAMAPTHTTRAB9ASMN1; SMN2

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