SCHEMBL6779825

SCHEMBL6779825

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
TGFBR1 P36897 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
TRPV4 Q9HBA0 3/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 1/20 0.37
TLR7 Q9NYK1 2/20 0.36
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TLR8 Q9NR97 2/20 0.36
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36

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
SCHEMBL6783346 0.91 TLR7 (0.38) MEN1KMT2ATGFBR1LMNAALDH1A1
SCHEMBL6780086 0.89 TLR7 (0.41) MEN1KMT2ATSHRTGFBR1SMN1; SMN2
SCHEMBL6780432 0.87 KMT2A (0.43) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL6780316 0.86 TLR7 (0.38) TSHRTGFBR1LMNATLR7TLR8
SCHEMBL6282958 0.86 TLR7 (0.36) MEN1KMT2AKDM4ETGFBR1LMNA
SCHEMBL6282956 0.86 TLR7 (0.36) MEN1KMT2AKDM4ETGFBR1LMNA
SCHEMBL6779023 0.85 GAA (0.40) GAATLR7TLR8
SCHEMBL6281876 0.85 TLR7 (0.38) LMNATLR7TLR8
SCHEMBL6780878 0.82 TLR7 (0.36) TGFBR1TLR7TLR8
SCHEMBL6284763 0.82 ALDH1A1 (0.39) GAAALDH1A1TLR7TLR8

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