SCHEMBL3129279

SCHEMBL3129279

Cn1c(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c2ncc(-c3cc(Cl)cc(Cl)c3)cc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TP53 P04637 4/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 3/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL3114848 0.85 GRIN1 (0.43) TP53LMNAMAPT
SCHEMBL3118576 0.84 CES2 (0.49) TP53MAPTPOLB
SCHEMBL3129349 0.83 GRIN1 (0.48) LMNASMN1; SMN2GAA
SCHEMBL13521724 0.83 MAPT (0.49) TP53HTTSMN1; SMN2MAPTPOLB
SCHEMBL3123200 0.81 ADORA2B (0.39) TP53HTTLMNAMAPT
SCHEMBL13521612 0.81 MAPT (0.51) TP53HTTLMNASMN1; SMN2MAPT
SCHEMBL3244764 0.79 PKM (0.46) KMT2AMEN1HTTSMN1; SMN2MAPT
SCHEMBL13521623 0.77 GRIN1 (0.49) HTTPOLB
SCHEMBL13521710 0.77 GRIN1 (0.53) TP53POLB
SCHEMBL3127562 0.76 GRIN1 (0.45)

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-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO claimed