SCHEMBL3130103

SCHEMBL3130103

COc1ccccc1CNC(=O)Cn1c(=O)n(C)c2cc(-c3cc(Cl)cc(Cl)c3)cnc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPK1 P28482 1/20 0.50
TP53 P04637 5/20 0.47
F2 P00734 1/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HDAC6 Q9UBN7 3/20 0.45
ISG15 P05161 1/20 0.45
USP5 P45974 1/20 0.45
USP16 Q9Y5T5 1/20 0.45
USP3 Q9Y6I4 1/20 0.45
ANO1 Q5XXA6 1/20 0.44
ANO2 Q9NQ90 1/20 0.44

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
SCHEMBL13521724 0.84 MAPT (0.49) MAPTPOLBTP53HPGDHDAC6
SCHEMBL13521612 0.84 MAPT (0.51) MAPTPOLBTP53F2HPGD
SCHEMBL3123200 0.83 ADORA2B (0.39) MAPTMAPK1TP53
SCHEMBL3118576 0.82 CES2 (0.49) MAPTPOLBTP53
SCHEMBL3129349 0.81 GRIN1 (0.48) F2GAA
SCHEMBL3114848 0.81 GRIN1 (0.43) MAPTMAPK1TP53
SCHEMBL13521574 0.81 TP53 (0.44) MAPTTP53
SCHEMBL3131888 0.80 HSD17B10 (0.49) MAPTPOLBTP53
SCHEMBL3244764 0.79 PKM (0.46) MAPTPOLBHPGDTSHR
SCHEMBL13521710 0.78 GRIN1 (0.53) POLBTP53

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