SCHEMBL6775775

SCHEMBL6775775

CCCCNC(=O)NCCCn1c(C)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.37
TLR7 Q9NYK1 8/20 0.36
TLR8 Q9NR97 5/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
APAF1 O14727 1/20 0.35
NSD2 O96028 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.34

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 0.95 EPHX1 (0.37) EPHX1TLR7TLR8MAPTKDM4E
SCHEMBL6773502 0.89 TLR7 (0.37) TLR7TLR8KMT2A
SCHEMBL6094589 0.87 DYRK1A (0.37) TLR7KDM4E
SCHEMBL6776898 0.86 EPHX1 (0.37) EPHX1TLR7MAPTKDM4ETDP1
SCHEMBL6778701 0.85 TLR7 (0.40) TLR7TLR8
SCHEMBL6097539 0.84 KMT2A (0.36) TLR7GAARECQLKMT2ACYP3A4
SCHEMBL6772950 0.83 FAAH (0.53) EPHX1MAPTKDM4EALDH1A1GAA
SCHEMBL6768462 0.83 TLR7 (0.38) TLR7TLR8KMT2AHSD17B10
SCHEMBL6773214 0.82 EPHX1 (0.44) EPHX1KDM4EALDH1A1GAA
SCHEMBL6773171 0.82 TSHR (0.38) KDM4EALDH1A1GAAHPGDCASP1

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