SCHEMBL8003645

SCHEMBL8003645

CCCCCCCCc1cccc2nc3ccccc3cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.61
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
USP2 O75604 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
PTBP1 P26599 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
RCE1 Q9Y256 1/20 0.46
LIPG Q9Y5X9 1/20 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
SCHEMBL21551636 1.00 TLR8 (0.61) TLR8KDM4EALDH1A1GLAGAA
SCHEMBL3021416 1.00 TLR8 (0.61) TLR8KDM4EALDH1A1GLAGAA
SCHEMBL4103521 1.00 TLR8 (0.61) TLR8KDM4EALDH1A1GLAGAA
SCHEMBL2462921 1.00 TLR8 (0.61) TLR8KDM4EALDH1A1GLAGAA
SCHEMBL916064 1.00 TLR8 (0.61) TLR8KDM4EALDH1A1GLAGAA
SCHEMBL722159 1.00 TLR8 (0.61) TLR8KDM4EALDH1A1GLAGAA
SCHEMBL30593398 1.00 TLR8 (0.61) TLR8KDM4EALDH1A1GLAGAA
SCHEMBL7600918 0.98 TLR8 (0.61) TLR8KDM4EALDH1A1GLAGAA
SCHEMBL19656190 0.94 TLR8 (0.60) TLR8KDM4EALDH1A1GLAGAA
SCHEMBL28491074 0.92 ALDH1A1 (0.53) TLR8KDM4EALDH1A1GLAGAA

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
EP-0751951-A4 DIAGNOSIS, THERAPY AND CELLULAR AND ANIMAL MODELS FOR DISEASES ASSOCIATED WITH MITOCHONDRIAL DEFECTS MITOKOR (US) 2000-05-03 EP disclosed
EP-0751951-A1 DIAGNOSIS, THERAPY AND CELLULAR AND ANIMAL MODELS FOR DISEASES ASSOCIATED WITH MITOCHONDRIAL DEFECTS Mitokor (US) 1997-01-08 EP disclosed