SCHEMBL6778488

SCHEMBL6778488

CCOCc1nc2c(N)ncc(C)c2n1CCCCNS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.39
TLR7 Q9NYK1 8/20 0.39
CCR4 P51679 3/20 0.38
TLR8 Q9NR97 6/20 0.35
CCR5 P51681 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL6778162 0.86 TLR7 (0.41) TSHRALDH1A1TLR7TLR8MAPT
SCHEMBL6778425 0.84 TLR7 (0.43) TLR7TLR8
SCHEMBL6778433 0.84 TLR7 (0.47) TSHRSMN1; SMN2ALDH1A1TLR7TLR8
SCHEMBL6285401 0.84 TLR7 (0.52) TLR7TLR8
SCHEMBL6774751 0.83 TLR7 (0.43) SMN1; SMN2ALDH1A1TLR7TLR8
SCHEMBL6779793 0.83 TLR7 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1TLR7
SCHEMBL6778051 0.82 TLR7 (0.46) ALDH1A1TLR7TLR8
SCHEMBL6775204 0.82 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1TLR7
SCHEMBL6774225 0.82 KMT2A (0.40) KMT2AMEN1ALDH1A1TLR7TLR8
SCHEMBL6778097 0.82 TLR7 (0.38) TLR7TLR8

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