SCHEMBL6529915

SCHEMBL6529915

CCCCCCCCc1c(CCCCCCCC)c(CCCCCCCC)c2c(c1CCCCCCCC)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1c(N)c(N)c(N)c(N)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.38
HSD17B10 Q99714 5/20 0.38
KDM4E B2RXH2 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
GCGR P47871 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7572887 0.91 HSD17B10 (0.41) TLR8HSD17B10KDM4ECYP3A4CYP1A2
SCHEMBL7571534 0.91 HSD17B10 (0.41) TLR8HSD17B10KDM4ECYP3A4CYP1A2
SCHEMBL7722134 0.91 HSD17B10 (0.41) TLR8HSD17B10KDM4ECYP3A4CYP1A2
SCHEMBL8958676 0.88 HSD17B10 (0.40) TLR8HSD17B10KDM4ECYP3A4CYP1A2
SCHEMBL706760 0.85 HSD17B10 (0.44) TLR8HSD17B10KDM4ECYP3A4CYP1A2
SCHEMBL9184214 0.85 GCGR (0.39) TLR8HSD17B10KDM4ECYP3A4CYP1A2
SCHEMBL9185129 0.85 GCGR (0.39) TLR8HSD17B10KDM4ECYP3A4CYP1A2
SCHEMBL8958670 0.84 HSD17B10 (0.41) TLR8HSD17B10KDM4ECYP3A4CYP1A2
Hydrochloric Acid SCHEMBL5153564 0.84 HSD17B10 (0.43) TLR8HSD17B10KDM4ECYP3A4CYP1A2
SCHEMBL8958264 0.84 HSD17B10 (0.44) TLR8HSD17B10KDM4ECYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112488-B1 FILM FOR DETECTING A CHEMICAL SPECIES, CHEMICAL SENSOR AND METHOD FOR MAKING SAME COMMISSARIAT ENERGIE ATOMIQUE (FR) 2005-04-06 EP disclosed
EP-1112488-A1 FILM FOR DETECTING A CHEMICAL SPECIES, CHEMICAL SENSOR AND METHOD FOR MAKING SAME Commisariat à l'énergie Atomique (FR) 2001-07-04 EP disclosed
WO-2000014520-A1 FILM FOR DETECTING A CHEMICAL SPECIES, CHEMICAL SENSOR AND METHOD FOR MAKING SAME COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2000-03-16 WO disclosed