SCHEMBL13620468

SCHEMBL13620468

NCCCOc1cccc(-c2nc3ccc(-c4ccccc4)cc3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.53
VSIR Q9H7M9 4/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR119 Q8TDV5 2/20 0.48
TLR7 Q9NYK1 5/20 0.47
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL13620568 0.88 VSIR (0.56) TLR9VSIRMAPTMEN1KMT2A
SCHEMBL4053044 0.86 MAPT (0.52) TLR9VSIRMAPTMEN1KMT2A
SCHEMBL4055094 0.85 TLR9 (0.50) TLR9VSIRMAPTMEN1KMT2A
SCHEMBL12322266 0.84 TP53 (0.52) TLR9MAPTMEN1KMT2ATP53
SCHEMBL4059683 0.80 NPC1 (0.65) VSIRMAPTKMT2AGPR119TP53
SCHEMBL13608739 0.80 TLR9 (0.59) TLR9VSIRGPR119TLR7RAB9A
SCHEMBL10682119 0.79 LTA4H (0.55)
SCHEMBL26686711 0.77 NPC1 (0.71) VSIRMAPTMEN1KMT2AGPR119
SCHEMBL4059361 0.77 VSIR (0.53) TLR9VSIRMAPTMEN1KMT2A
SCHEMBL4054393 0.77 VSIR (0.53) TLR9VSIRMAPTMEN1KMT2A

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed