SCHEMBL8492206

SCHEMBL8492206

COc1ccc(-c2nc(CCc3nccn3C)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ PDE4A P27815 4/20 0.39
▸ PDE4D Q08499 4/20 0.39
▸ SYK P43405 2/20 0.39
▸ WHR1 P49842 1/20 0.39
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ NTSR1 P30989 2/20 0.38
▸ HPGD P15428 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL8131735 0.83 SLC10A2 (0.41) TLR9TLR7SYKHPGDALDH1A1
SCHEMBL7819346 0.79 QPCT (0.47) TLR9TLR7PDE4APDE4DHPGD
SCHEMBL7820197 0.78 PDE4A (0.48) PDE4APDE4DWHR1PDE3BPDE3A
SCHEMBL7825968 0.78 WHR1 (0.46) PDE4APDE4DWHR1PDE3BPDE3A
SCHEMBL7832556 0.75 SLC10A2 (0.39) TLR9TLR7PDE4APDE4DPDE3B
SCHEMBL7819852 0.75 WHR1 (0.48) PDE4APDE4DWHR1PDE3BPDE3A
SCHEMBL8138977 0.74 PDGFRB (0.40) PDE4APDE4DWHR1HPGDALDH1A1
SCHEMBL8121649 0.74 PDGFRB (0.40) PDE4APDE4DWHR1HPGDALDH1A1
SCHEMBL8121655 0.74 PDGFRB (0.40) PDE4APDE4DWHR1HPGDALDH1A1
SCHEMBL8138601 0.74 WHR1 (0.42) PDE4APDE4DWHR1PDE3BPDE3A

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
US-5948782-A ANTIINFLAMMATORY AGENT; RHEUMATIC DISEASES TAKEDA CHEMICAL (JP) 1999-09-07 — — US disclosed
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