SCHEMBL10112898

SCHEMBL10112898

N#Cc1c(Cl)cccc1Oc1ccc(C23CC4CC(C2)CC(c2ccc(Oc5cccc(Cl)c5C#N)cc2)(C4)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.46
PGR P06401 12/20 0.46
MAPT P10636 1/20 0.46
HSD11B1 P28845 1/20 0.43
EZH2 Q15910 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
ESR1 P03372 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 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
SCHEMBL10112892 0.84 TLR8 (0.47) TLR8MAPTHSD11B1EZH2BCL2L1
SCHEMBL10112906 0.79 ALOX5AP (0.46) TLR8MAPTHSD11B1EZH2BCL2L1
SCHEMBL10112950 0.76 TLR8 (0.49) TLR8MAPTHSD11B1EZH2BCL2L1
SCHEMBL10112886 0.76 TLR8 (0.49) TLR8MAPTHSD11B1EZH2BCL2L1
SCHEMBL10112879 0.76 ESR1 (0.45) TLR8MAPTHSD11B1EZH2BCL2L1
SCHEMBL12780756 0.75 TLR8 (0.67) TLR8MAPTHSD11B1EZH2BCL2L1
SCHEMBL12122765 0.74 TLR8 (0.58) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL2710488 0.74 GRIN2D (0.48) PGRESR1MEN1LMNAHTT
SCHEMBL6177743 0.73 TLR8 (0.56) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL22169507 0.73 HSD11B1 (0.57) 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