SCHEMBL3129168

SCHEMBL3129168

O=C(CN1C(=O)COc2cc(-c3cc(Cl)cc(Cl)c3)cnc21)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
TP53 P04637 4/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SPR P35270 1/20 0.34

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
SCHEMBL13521726 0.89 MEN1 (0.52) MEN1KMT2ATP53POLBMAPT
SCHEMBL13521633 0.89 TP53 (0.46) MEN1KMT2ATP53POLBMAPT
SCHEMBL3246664 0.87 MEN1 (0.41) MEN1KMT2ATP53POLBMAPT
SCHEMBL13521594 0.86 MEN1 (0.48) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL3246859 0.86 MEN1 (0.40) MEN1KMT2ATP53POLBMAPT
SCHEMBL13521709 0.85 TP53 (0.43) MEN1KMT2ATP53POLBMAPT
SCHEMBL13521729 0.84 MEN1 (0.39) MEN1KMT2ATP53POLBNPSR1
SCHEMBL13521716 0.84 MEN1 (0.40) MEN1KMT2ATP53POLBMAPT
SCHEMBL13521727 0.83 MEN1 (0.39) MEN1KMT2ATP53POLBMAPT
SCHEMBL3250703 0.82 GRIN2B (0.40) MEN1KMT2ATP53POLBMAPT

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