SCHEMBL6773784

SCHEMBL6773784

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=S)NCCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 6/20 0.41
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TLR7 Q9NYK1 4/20 0.40
TLR8 Q9NR97 3/20 0.40
NUDT1 P36639 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6783053 0.88 KDM4E (0.44) ALDH1A1SMN1; SMN2LMNATLR7TLR8
SCHEMBL6773457 0.85 L3MBTL1 (0.42) ALDH1A1TLR7TLR8NUDT1KDM4E
SCHEMBL6768386 0.84 TLR7 (0.42) ALDH1A1TLR7TLR8NUDT1
SCHEMBL6287381 0.83 KMT2A (0.44) NPC1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6097194 0.82 NPY1R (0.45) SMN1; SMN2LMNATLR7TLR8NUDT1
SCHEMBL6897348 0.82 ALDH1A1 (0.46) ALDH1A1TLR7TLR8NUDT1KDM4E
SCHEMBL6777299 0.82 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL6773368 0.82 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL6778932 0.82 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6279887 0.79 TLR7 (0.41) TLR7TLR8NUDT1

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