SCHEMBL20595441

SCHEMBL20595441

CNCc1cccc2nc(CCCNC(=O)O)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PDE10A Q9Y233 4/20 0.41
PIK3CD O00329 5/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAPT P10636 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL15864461 0.86 PIK3CD (0.53) LMNAMAPK1SMN1; SMN2PDE10APIK3CD
SCHEMBL16586945 0.83 LMNA (0.44) LMNAMAPK1SMN1; SMN2PDE10APIK3CD
SCHEMBL20595353 0.83 LMNA (0.44) LMNAMAPK1SMN1; SMN2PDE10APIK3CD
SCHEMBL16584915 0.83 PDE10A (0.52) LMNAMAPK1PDE10APIK3CDMAPT
SCHEMBL20595317 0.83 PDE10A (0.43) LMNAMAPK1SMN1; SMN2PDE10APIK3CD
SCHEMBL20595345 0.82 LMNA (0.43) LMNAMAPK1SMN1; SMN2PDE10APIK3CD
SCHEMBL18076650 0.81 MAPK1 (0.61) LMNAMAPK1SMN1; SMN2PDE10AMEN1
SCHEMBL15818242 0.80 PIK3CD (0.55) LMNAMAPK1SMN1; SMN2PDE10APIK3CD
SCHEMBL21178507 0.78 PIK3CD (0.45) LMNAMAPK1PDE10APIK3CDPIK3CA
SCHEMBL16584706 0.77 PIK3CD (0.67) LMNASMN1; SMN2PDE10APIK3CDMAPT

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-2018237007-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-12-27 WO disclosed