SCHEMBL13680795

SCHEMBL13680795

CNC(=O)c1ccc(-c2cccc(CCC=O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PLK1 P53350 3/20 0.44
AOC3 Q16853 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
GPR52 Q9Y2T5 2/20 0.42
CRBN Q96SW2 2/20 0.41
F10 P00742 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL13680788 0.85 MAPT (0.50) BCL2AOC3GPR52MAPTSMN1; SMN2
SCHEMBL13680789 0.84 ERN1 (0.50) BCL2ALDH1A1MAPTRAB9AMEN1
SCHEMBL13681324 0.83 BCL2 (0.63) BCL2AOC3GPR52
SCHEMBL13680794 0.82 AOC3 (0.53) BCL2MKNK1MKNK2AOC3GPR52
SCHEMBL13680803 0.82 CNR1 (0.44) AOC3ALDH1A1
SCHEMBL13680801 0.81 ERN1 (0.50) BCL2AOC3GPR52ALDH1A1LMNA
SCHEMBL13680793 0.81 BCHE (0.47) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13680796 0.78 AOC3 (0.56) AOC3ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL13680790 0.78 FFAR1 (0.45) BCL2GPR52
SCHEMBL418611 0.77 GPR52 (0.50) BCL2AOC3GPR52

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed