SCHEMBL23134337

SCHEMBL23134337

N#C/C(=C\c1ccc(-c2ccc3cc(N4CCCCC4)ccc3c2)s1)S(=O)(=O)NCCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.37
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31

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
SCHEMBL25609426 0.95 APP (0.40) APPSLC16A3SLC16A1MEN1KMT2A
SCHEMBL25609494 0.92 APP (0.39) APPALDH1A1MAPTABL1
SCHEMBL18220161 0.88 APP (0.47) APPSLC16A3SLC16A1MEN1KMT2A
SCHEMBL18221502 0.86 APP (0.34) APPSLC16A3SLC16A1MEN1KMT2A
SCHEMBL18220268 0.84 APP (0.36) APPSLC16A3SLC16A1MEN1KMT2A
SCHEMBL23134878 0.82 APP (0.34) APPSLC16A3SLC16A1
SCHEMBL25609474 0.82 APP (0.47) APPMEN1KMT2AALDH1A1MAPT
SCHEMBL23135078 0.81 APP (0.33) APP
SCHEMBL18221570 0.81 APP (0.33) APP
SCHEMBL18220153 0.81 APP (0.47) APPMEN1KMT2AALDH1A1MAPT

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-2021055639-A1 METHODS OF DETECTING NEUROLOGICAL DISORDERS VIA BINDING TO PHOSPHORYLATED TAU PROTEIN SARRAF STELLA (US) 2021-03-25 WO disclosed