SCHEMBL10112892

SCHEMBL10112892

N#Cc1c(Cl)cccc1Oc1ccc(C2(c3ccc(Oc4cccc(Cl)c4C#N)cc3)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.47
MAPT P10636 1/20 0.46
HSD11B1 P28845 4/20 0.43
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
EZH2 Q15910 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
AR P10275 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CASR P41180 2/20 0.32
MAPK1 P28482 1/20 0.32
ADRB2 P07550 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL10112898 0.84 TLR8 (0.46) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL10112906 0.82 ALOX5AP (0.46) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL10112886 0.77 TLR8 (0.49) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL10112950 0.77 TLR8 (0.49) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL12780756 0.76 TLR8 (0.67) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL12122765 0.75 TLR8 (0.58) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL22169507 0.74 HSD11B1 (0.57) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL6177743 0.74 TLR8 (0.56) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL12433514 0.73 MAPT (0.50) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL11508991 0.72 TLR8 (0.52) TLR8MAPTHSD11B1BCL2L1MCL1

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-20120052412-A1 POLYARYLENE BLOCK COPOLYMER HAVING SULFONIC ACID GROUP AND USE THEREOF HONDA MOTOR CO., LTD. (JP) 2012-03-01 US disclosed