SCHEMBL28041569

SCHEMBL28041569

COc1cc2nc(N)c(-c3ccccc3)c(-c3ccccc3)c2c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 4/20 0.56
FYN P06241 1/20 0.45
TLR8 Q9NR97 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 2/20 0.42
HDAC6 Q9UBN7 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
DHFR P00374 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
SCHEMBL6772470 0.77 SLC10A2 (0.45) SLC10A2FYNTLR8ALDH1A1GAA
SCHEMBL6765497 0.77 SLC10A2 (0.45) SLC10A2FYNTLR8ALDH1A1GAA
SCHEMBL7800633 0.75 ADORA2A (0.45) SLC10A2FYNALDH1A1GAAHSD17B10
SCHEMBL3777263 0.72 SLC10A2 (0.56) SLC10A2ALDH1A1GAAHSD17B10ALOX15
SCHEMBL3778066 0.72 SLC10A2 (0.56) SLC10A2ALDH1A1GAAHSD17B10ALOX15
SCHEMBL6767322 0.71 SLC10A2 (0.46) SLC10A2ALDH1A1GAAHSD17B10HPGD
SCHEMBL6766348 0.71 SLC10A2 (0.46) SLC10A2ALDH1A1GAAHSD17B10ALOX15
SCHEMBL27506528 0.70 MAPT (0.45) SLC10A2ADORA2AADORA1MAPTDHFR
SCHEMBL7913437 0.70 LMNA (0.51) ALDH1A1GAAHSD17B10ADORA2AADORA1
SCHEMBL6771912 0.70 ALDH1A1 (0.57) ALDH1A1HPGDLMNAKDM4EMAPT

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
CN-104086485-B Prepare the method for poly-substituted quinoline type aromatic ring pyridine derivate TSINGHUA UNIVERSITY (CN) 2016-03-30 CN disclosed