SCHEMBL4538271

SCHEMBL4538271

CCCCCCc1cc2ccccc2c(N)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.49
DHFR P00374 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ESR1 P03372 6/20 0.45
ESR2 Q92731 6/20 0.45

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
SCHEMBL28211818 1.00 TLR8 (0.49) TLR8DHFRMAPTKDM4EUSP2
SCHEMBL28312230 1.00 TLR8 (0.49) TLR8DHFRMAPTKDM4EUSP2
SCHEMBL28285485 0.94 ESR1 (0.49) TLR8DHFRMAPTKDM4EUSP2
SCHEMBL28222384 0.81 TLR8 (0.52) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL28222385 0.81 TLR8 (0.52) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL28860556 0.81 TLR8 (0.52) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL11690313 0.80 MAPT (0.53) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL6578274 0.80 TLR8 (0.54) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL28141815 0.78 TLR8 (0.47) TLR8DHFRMAPTKDM4EUSP2
SCHEMBL28141760 0.78 TLR8 (0.47) TLR8DHFRMAPTKDM4EUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088254-A Lubricant oil composite comprising dispersing agent comb polymer 赢创油品添加剂有限公司 2019-08-02 CN disclosed
US-20090286455-A1 METHOD FOR SIZING SINTERED METAL IDEMITSU KOSAN CO., LTD. (JP) 2009-11-19 US disclosed