SCHEMBL3246664

SCHEMBL3246664

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 5/20 0.40
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13521633 0.91 TP53 (0.46) MEN1KMT2ATP53MAPTPOLB
SCHEMBL13521726 0.91 MEN1 (0.52) MEN1KMT2ATP53MAPTPOLB
SCHEMBL3129168 0.87 MEN1 (0.40) MEN1KMT2ATP53MAPTPOLB
SCHEMBL13521716 0.86 MEN1 (0.40) MEN1KMT2ATP53MAPTPOLB
SCHEMBL13521704 0.85 MEN1 (0.37) MEN1KMT2ATP53MAPTPOLB
SCHEMBL13521709 0.85 TP53 (0.43) MEN1KMT2ATP53MAPTPOLB
SCHEMBL13521729 0.84 MEN1 (0.39) MEN1KMT2ATP53POLBNPSR1
SCHEMBL3250703 0.83 GRIN2B (0.40) MEN1KMT2ATP53MAPTPOLB
SCHEMBL13521719 0.82 TSHR (0.46) MEN1KMT2ATP53POLBNPSR1
SCHEMBL13521684 0.81 KMO (0.46) MEN1KMT2AMAPTPOLBNPSR1

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