SCHEMBL6780432

SCHEMBL6780432

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
LMNA P02545 7/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
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
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
PKM P14618 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
TLR7 Q9NYK1 3/20 0.41

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
SCHEMBL6780086 0.90 TLR7 (0.41) KMT2AALDH1A1MEN1TLR7SMN1; SMN2
SCHEMBL6783346 0.89 TLR7 (0.38) KMT2ALMNAALDH1A1HTTPKM
SCHEMBL6779825 0.87 MEN1 (0.40) KMT2ALMNAALDH1A1HTTMEN1
SCHEMBL6780316 0.85 TLR7 (0.38) LMNAHTTTLR7TLR8NUDT1
SCHEMBL6281876 0.84 TLR7 (0.38) LMNATLR7TLR8NUDT1
SCHEMBL6768740 0.84 NPC1 (0.42) TLR7TLR8NUDT1
SCHEMBL6282958 0.83 TLR7 (0.36) KMT2ALMNAALDH1A1MEN1MAPT
SCHEMBL6282956 0.83 TLR7 (0.36) KMT2ALMNAALDH1A1MEN1MAPT
SCHEMBL6774414 0.83 MAPK1 (0.47) LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL6780878 0.82 TLR7 (0.36) 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-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed