SCHEMBL6779320

SCHEMBL6779320

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
TLR7 Q9NYK1 7/20 0.42
TLR8 Q9NR97 7/20 0.42
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 4/20 0.39
KDM4E B2RXH2 2/20 0.39
NUDT1 P36639 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR2 Q92731 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6773902 0.87 ALDH1A1 (0.44) ALDH1A1TSHRHPGDALOX15HSD17B10
SCHEMBL6771821 0.86 TLR7 (0.47) ALDH1A1TLR7TLR8NUDT1MEN1
SCHEMBL6768345 0.85 ALDH1A1 (0.45) ALDH1A1TSHRTLR7TLR8HPGD
SCHEMBL6774073 0.84 ALDH1A1 (0.45) ALDH1A1TSHRTLR7TLR8HPGD
SCHEMBL6774879 0.81 TLR7 (0.48) TLR7TLR8HPGDKDM4ENUDT1
SCHEMBL6778860 0.81 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6779679 0.81 HPGD (0.46) ALDH1A1TSHRHPGDALOX15HSD17B10
SCHEMBL6768601 0.81 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6094643 0.81 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL6773544 0.81 TLR7 (0.51) 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-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed