SCHEMBL6777299

SCHEMBL6777299

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)Nc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
TLR7 Q9NYK1 5/20 0.42
TLR8 Q9NR97 4/20 0.42
NUDT1 P36639 1/20 0.42
MAPT P10636 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL6777740 0.91 LMNA (0.46) ALDH1A1SMN1; SMN2KDM4ETLR7MAPT
SCHEMBL6779180 0.91 KDM4E (0.40) ALDH1A1SMN1; SMN2KDM4EGAATLR7
SCHEMBL6783053 0.90 KDM4E (0.44) ALDH1A1SMN1; SMN2KDM4ETLR7TLR8
SCHEMBL6779541 0.90 TUBB4A (0.45) ALDH1A1TSHRMAPTHTTKMT2A
SCHEMBL6894485 0.90 MAPT (0.43) ALDH1A1SMN1; SMN2KDM4EGAATLR7
SCHEMBL6773282 0.89 P2RY12 (0.43) ALDH1A1SMN1; SMN2TSHRTLR7TLR8
SCHEMBL6773368 0.89 TLR7 (0.43) TLR7TLR8NUDT1HDAC3HDAC4
SCHEMBL6776954 0.88 LMNA (0.40) ALDH1A1TLR7TLR8NUDT1LMNA
SCHEMBL6288252 0.88 EPHX2 (0.47)
SCHEMBL6768386 0.87 TLR7 (0.42) ALDH1A1TLR7TLR8NUDT1HDAC3

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