SCHEMBL5012391

SCHEMBL5012391

CCCCCCCCCCCCCCCCCCc1cccc2c3c(ccc12)-c1cc(Br)cc2cccc-3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.40
TLR8 Q9NR97 6/20 0.37
CNR1 P21554 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ELANE P08246 2/20 0.34
CTSG P08311 2/20 0.34
GPR3 P46089 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL5011000 0.87 CNR1 (0.41) TLR8CNR1ELANECTSGNR1H2
SCHEMBL5010798 0.82 TLR8 (0.36) TLR8CNR1ELANECTSGMAPT
SCHEMBL5013869 0.75 GPR3 (0.45) CYP1B1NPSR1GPR3RXFP1KDM4E
SCHEMBL5010999 0.73 TLR8 (0.41) TLR8CNR1NR1H2NR1H3MAPT
SCHEMBL5012389 0.72 TLR8 (0.38) TLR8CNR1GPR3NR1H2NR1H3
SCHEMBL9764124 0.69 LIPG (0.49) TLR8CNR1NPSR1MAPTKDM4E
SCHEMBL28452662 0.69 LIPG (0.49) TLR8CNR1NPSR1MAPTKDM4E
SCHEMBL16666257 0.69 LIPG (0.49) TLR8CNR1NPSR1MAPTKDM4E
SCHEMBL2577637 0.69 LIPG (0.49) TLR8CNR1NPSR1MAPTKDM4E
SCHEMBL9621111 0.69 LIPG (0.49) TLR8CNR1NPSR1MAPTKDM4E

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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed