SCHEMBL13833726

SCHEMBL13833726

Nc1sc2c(c1-c1nc3ccccc3s1)CCN(Cc1ccc(F)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
DRD4 P21917 3/20 0.47
ADORA1 P30542 5/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 2/20 0.47
KCNH2 Q12809 1/20 0.46
APEX1 P27695 1/20 0.43
LIMK1 P53667 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP3A4 P08684 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
SCHEMBL15101513 0.92 ADORA1 (0.55) LMNADRD4ADORA1DRD2DRD3
SCHEMBL13833586 0.83 LMNA (0.60) LMNARXFP1APEX1MEN1MAPT
SCHEMBL13833692 0.82 APEX1 (0.69) LMNARXFP1APEX1MEN1MAPT
SCHEMBL3752414 0.78 APEX1 (0.66) LMNARXFP1APEX1MEN1MAPT
SCHEMBL18293135 0.75 KDM4E (0.47) LMNAAPEX1MEN1MAPTKMT2A
SCHEMBL13737316 0.75 APEX1 (0.67) APEX1MEN1MAPTKMT2A
SCHEMBL13833662 0.75 ILK (0.48) APEX1MEN1MAPTKMT2A
SCHEMBL14778519 0.74 KDM4E (0.55) LMNARXFP1APEX1MEN1MAPT
Hydrochloric Acid SCHEMBL14777604 0.74 ILK (0.47) APEX1MEN1MAPTKMT2A
SCHEMBL1494800 0.74 APEX1 (0.73) LMNAAPEX1MEN1MAPTKMT2A

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-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO disclosed