SCHEMBL6778065

SCHEMBL6778065

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=S)NCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TLR7 Q9NYK1 12/20 0.41
TLR8 Q9NR97 3/20 0.40
NUDT1 P36639 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HRH2 P25021 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL6779064 0.89 TLR8 (0.40) RAB9ASMN1; SMN2TLR7TLR8NUDT1
SCHEMBL6772264 0.87 TLR7 (0.45) SMN1; SMN2TLR7TLR8LMNAKDM4E
SCHEMBL6773630 0.87 TLR8 (0.36) SMN1; SMN2TLR7TLR8NUDT1HRH4
SCHEMBL6772921 0.85 TLR7 (0.44) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6094697 0.85 TLR7 (0.42) SMN1; SMN2TLR7TLR8LMNA
SCHEMBL6773179 0.84 TLR7 (0.42) TLR7TLR8NUDT1
SCHEMBL6288253 0.84 ALDH1A1 (0.42) RAB9ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL6779395 0.83 TLR7 (0.46) RAB9ASMN1; SMN2TLR7TLR8NUDT1
SCHEMBL6782472 0.82 FAAH (0.47) TLR7TLR8NUDT1LMNAALDH1A1
SCHEMBL6779139 0.82 TLR7 (0.44) TLR7TLR8NUDT1ALDH1A1

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