SCHEMBL6818784

SCHEMBL6818784

CC(C)(C)OC(=O)c1cc(C#N)ccc1NC(=O)c1onc2cc(N)ccc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.34
F10 P00742 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
ABCB1 P08183 6/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
MAP2K1 Q02750 3/20 0.32
NR1H4 Q96RI1 1/20 0.32
CISD2 Q8N5K1 1/20 0.32
ALB P02768 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL6818724 0.93 PDE10A (0.34) PDE10AF10PDK1PDK2PDK3
SCHEMBL6818372 0.91 F10 (0.34) PDE10AF10PDK1PDK2PDK3
SCHEMBL6819112 0.87 ABCB1 (0.33) PDE10AF10ABCB1ALDH1A1PKM
SCHEMBL6833230 0.85 HIF1A (0.37) PDE10APDK1PDK2PDK3PDK4
SCHEMBL6822117 0.84 HIF1A (0.37) PDE10APDK1PDK2PDK3PDK4
SCHEMBL7126301 0.84 PDE10A (0.34) PDE10AF10ABCB1ALDH1A1PKM
SCHEMBL7129663 0.82 ABCB1 (0.33) ABCB1
SCHEMBL6818693 0.81 ALB (0.36) PDE10AF10PDK1PDK2PDK3
SCHEMBL6919933 0.75 ALB (0.37) PDE10AALDH1A1ALBGAAMAPT
SCHEMBL6815114 0.74 HIF1A (0.37) PDE10AALDH1A1GAAMAPT

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed