SCHEMBL5459926

SCHEMBL5459926

CCCCCc1cc2[nH]nnc2c(CC)c1N

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.34
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
USP2 O75604 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL5444831 0.99 TLR8 (0.33) TLR8KDM4EALDH1A1USP2GLA
SCHEMBL5465489 0.99 TLR8 (0.33) TLR8KDM4EALDH1A1USP2GLA
SCHEMBL5460084 0.99 TLR8 (0.33) TLR8KDM4EALDH1A1USP2GLA
SCHEMBL5450687 0.99 TLR8 (0.33) TLR8KDM4EALDH1A1USP2GLA
SCHEMBL5466831 0.99 TLR8 (0.33) TLR8KDM4EALDH1A1USP2GLA
SCHEMBL5450697 0.99 TLR8 (0.33) TLR8KDM4EALDH1A1USP2GLA
SCHEMBL5449275 0.99 TLR8 (0.33) TLR8KDM4EALDH1A1USP2GLA
SCHEMBL5450709 0.96 TLR8 (0.33) TLR8KDM4EALDH1A1
SCHEMBL5448242 0.90 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL5455695 0.84 TLR8 (0.35) TLR8KDM4EALDH1A1USP2GLA

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
US-8796193-B2 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2014-08-05 US disclosed
US-20070155635-A1 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2007-07-05 US disclosed