SCHEMBL6779064

SCHEMBL6779064

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=S)Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.40
TLR7 Q9NYK1 5/20 0.39
NUDT1 P36639 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
QPCT Q16769 3/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX12 P18054 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6779782 0.91 QPCT (0.46) MAPKAPK2QPCTKMT2AALDH1A1MAPT
SCHEMBL6782472 0.90 FAAH (0.47) TLR8TLR7NUDT1KMT2AALDH1A1
SCHEMBL6778065 0.89 RAB9A (0.48) TLR8TLR7NUDT1ALDH1A1LMNA
SCHEMBL6773630 0.87 TLR8 (0.36) TLR8TLR7NUDT1QPCTHPGD
SCHEMBL6772921 0.84 TLR7 (0.44) TLR8TLR7NUDT1KMT2AALDH1A1
SCHEMBL6779395 0.84 TLR7 (0.46) TLR8TLR7NUDT1KMT2AALDH1A1
SCHEMBL6778839 0.83 MAPKAPK2 (0.43) TLR8TLR7NUDT1MAPKAPK2QPCT
SCHEMBL6776337 0.82 TLR8 (0.45) TLR8TLR7NUDT1QPCTKMT2A
SCHEMBL6094697 0.82 TLR7 (0.42) TLR8TLR7LMNASMN1; SMN2HTT
SCHEMBL6096076 0.82 TLR7 (0.45) TLR8TLR7NUDT1GAASMN1; SMN2

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