SCHEMBL3900718

SCHEMBL3900718

Cc1ccccc1C(c1ccccc1)c1ccccc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ACP3 P15309 1/20 0.45
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MYC P01106 1/20 0.40
HTT P42858 1/20 0.40
BCAT2 O15382 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
MAPT P10636 2/20 0.39
NR3C2 P08235 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL28359145 0.87 CACNA2D1 (0.41) ALDH1A1GAAKMT2ATDP1HPGD
SCHEMBL4458402 0.86 ALDH1A1 (0.58) ALDH1A1GAAKMT2ATDP1HPGD
SCHEMBL28363033 0.83 CACNA2D1 (0.41) ALDH1A1GAAKMT2ATDP1HPGD
SCHEMBL28362870 0.82 CACNA2D1 (0.38) ALDH1A1GAAKMT2ATDP1HPGD
SCHEMBL5270216 0.80 ACP3 (0.52) GAAACP3LMNATSHRNPSR1
SCHEMBL2422170 0.76 ACP3 (0.52) GAAKMT2AACP3LMNAMAPT
SCHEMBL5968855 0.76 IRAK4 (0.47) ALDH1A1GAAKMT2ATDP1HPGD
SCHEMBL6266294 0.76 IRAK4 (0.47) ALDH1A1GAAKMT2ATDP1HPGD
SCHEMBL3663651 0.76 IRAK4 (0.47) ALDH1A1GAAKMT2ATDP1HPGD
SCHEMBL3652161 0.75 ALDH1A1 (0.53) ALDH1A1GAAKMT2ATDP1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725238-A4 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 EP claimed
EP-1725238-A2 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP claimed
WO-2005094251-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO claimed
EP-1725238-A4 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 EP disclosed
EP-1725238-A2 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
WO-2005094251-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO disclosed