SCHEMBL10112950

SCHEMBL10112950

N#Cc1c(Cl)cccc1Oc1ccc(C2(c3ccc(Oc4cccc(Cl)c4C#N)cc3)CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.49
MAPT P10636 1/20 0.48
HSD11B1 P28845 3/20 0.45
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NR1I2 O75469 2/20 0.36
EZH2 Q15910 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
AR P10275 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
CASR P41180 3/20 0.34
ADRB2 P07550 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL10112886 1.00 TLR8 (0.49) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL12780756 0.78 TLR8 (0.67) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL9846977 0.78 POLB (0.56) ALDH1A1L3MBTL1EZH2ESR1ESR2
SCHEMBL13910344 0.77 GAA (0.41) TLR8MAPTALDH1A1KDM4EAR
SCHEMBL12122765 0.77 TLR8 (0.58) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL10112892 0.77 TLR8 (0.47) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL10112879 0.77 ESR1 (0.45) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL10129305 0.76 ADORA3 (0.36) TLR8MAPTHSD11B1
SCHEMBL10112898 0.76 TLR8 (0.46) TLR8MAPTHSD11B1BCL2L1MCL1
SCHEMBL22169507 0.76 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