SCHEMBL6680346

SCHEMBL6680346

Brc1ccc(CCNCc2ccccc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SIGMAR1 Q99720 3/20 0.47
MAOA P21397 1/20 0.47
MPO P05164 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR2A P28223 1/20 0.43
BCHE P06276 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL6684711 0.87 GAA (0.55) GAAMAPTMEN1KMT2ATDP1
SCHEMBL6682815 0.84 TP53 (0.64) GAAMAPTMEN1KMT2ATDP1
SCHEMBL6680826 0.81 SIGMAR1 (0.55) SIGMAR1MAOAMPOBCHE
SCHEMBL27228 0.73 GAA (0.95) GAAMAPTMEN1KMT2ATDP1
SCHEMBL1785986 0.73 KDM4E (0.51) MPOHTR2AKDM4E
SCHEMBL22495343 0.72 GAA (0.58) GAAMAPTMEN1KMT2ATDP1
Ammonia Solution, Strong SCHEMBL23581968 0.72 GAA (0.91) GAAMAPTMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL1983401 0.72 GAA (1.00) GAAMAPTMEN1KMT2ATDP1
SCHEMBL25432637 0.72 GAA (0.91) GAAMAPTMEN1KMT2ATDP1
SCHEMBL11881258 0.72 GAA (0.91) GAAMAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474431-A2 MACROLIDE ANTIBACTERIAL COMPOUNDS Abbott Laboratories (US) 2004-11-10 EP disclosed
WO-2003068790-A2 MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 2003-08-21 WO disclosed