SCHEMBL4838352

SCHEMBL4838352

Cc1nc(N)c2ncn(CCCCCS(=O)(=O)Nc3ncccn3)c2c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 2/20 0.31
AURKA O14965 1/20 0.31
DHFR P00374 1/20 0.31
TSHR P16473 1/20 0.31
ADCY5 O95622 1/20 0.31
ADORA2A P29274 3/20 0.30
TMIGD3 P0DMS9 2/20 0.30
ADORA1 P30542 2/20 0.30
POLB P06746 1/20 0.30
HRH2 P25021 1/20 0.30
ADRA1D P25100 1/20 0.30
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30
NUDT1 P36639 1/20 0.30
HTR2B P41595 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL4790983 0.84 ALDH1A1 (0.34) ALDH1A1TDP1LMNAADCY5ADORA2A
SCHEMBL4793952 0.84 ALDH1A1 (0.38) ALDH1A1TDP1LMNAADCY5ADORA2A
SCHEMBL4793888 0.83 ALDH1A1 (0.33) ALDH1A1TDP1LMNAADORA2APOLB
SCHEMBL4791709 0.82 ALDH1A1 (0.36) ALDH1A1TDP1LMNAADCY5ADORA2A
SCHEMBL4792640 0.80 TLR7 (0.33) ALDH1A1TDP1LMNAADORA2APOLB
SCHEMBL4793899 0.80 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EHPGDADORA2A
SCHEMBL4792244 0.79 MAPK13 (0.38) ALDH1A1TDP1KDM4ELMNATSHR
SCHEMBL6778610 0.79 ALDH1A1 (0.38) ALDH1A1TDP1ADORA2ATMIGD3ADORA1
SCHEMBL4876618 0.79 YTHDC1 (0.38) POLBKCNH2
SCHEMBL4794192 0.79 MAPK13 (0.37) ALDH1A1TDP1LMNAADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO disclosed