SCHEMBL6783545

SCHEMBL6783545

CCOC(=O)CNC(=O)NCCn1c(C)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 5/20 0.40
PPIB P23284 1/20 0.40
PPIA P62937 1/20 0.40
PPIG Q13427 1/20 0.40
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.35
HTT P42858 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HPGD P15428 2/20 0.33
MMP3 P08254 1/20 0.33
KDM4E B2RXH2 4/20 0.32
HSD17B10 Q99714 2/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL6777224 0.85 EPHX1 (0.37) ALDH1A1GAAKMT2ATLR7HPGD
SCHEMBL6780666 0.83 TLR7 (0.37) TLR7KDM4E
SCHEMBL6284008 0.83 TLR7 (0.33) ALDH1A1LMNATLR7
SCHEMBL6777774 0.82 TLR7 (0.41) PPIDPPIBPPIAPPIGTLR7
SCHEMBL6110335 0.81 KDM4E (0.39) ALDH1A1GAATLR7HPGDKDM4E
SCHEMBL6777793 0.81 PKM (0.35) TLR7PKM
SCHEMBL6775775 0.81 EPHX1 (0.37) ALDH1A1GAAKMT2ATLR7HPGD
Hydrochloric Acid SCHEMBL6110768 0.80 KDM4E (0.38) ALDH1A1GAATLR7HPGDKDM4E
SCHEMBL6771859 0.79 FAAH (0.36) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL6096758 0.78 MEN1 (0.42) ALDH1A1GAAKMT2AMEN1HTT

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed