SCHEMBL6779152

SCHEMBL6779152

Cc1nc(N)c2ncn(CCCCNS(=O)(=O)Cc3ccccc3)c2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.40
ADORA2A P29274 5/20 0.40
TMIGD3 P0DMS9 4/20 0.40
ADORA1 P30542 4/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
ADORA2B P29275 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
NUDT1 P36639 1/20 0.36
HTR2B P41595 1/20 0.36
PDE4D Q08499 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL6783971 0.88 ALDH1A1 (0.44) TLR7ALDH1A1MEN1KMT2ALMNA
SCHEMBL6780196 0.87 TLR7 (0.37) TLR7ADORA2ATMIGD3ADORA1ALDH1A1
SCHEMBL6774053 0.84 HDAC1 (0.41) TLR7ALDH1A1LMNAKDM4E
SCHEMBL6778610 0.83 ALDH1A1 (0.38) TLR7ADORA2ATMIGD3ADORA1ALDH1A1
SCHEMBL6780833 0.82 GRIA1 (0.38) TLR7ADORA2AALDH1A1LMNAPOLB
SCHEMBL6281980 0.82 CA12 (0.34) TLR7ADORA2AALDH1A1KMT2ALMNA
SCHEMBL6773010 0.82 ALDH1A1 (0.43) ADORA2ATMIGD3ADORA1ALDH1A1HPGD
SCHEMBL6777563 0.82 SCN1A (0.49) TLR7ALDH1A1HTR2AKDM4E
SCHEMBL6779513 0.81 ALDH1A1 (0.38) TLR7ADORA2AADORA1ALDH1A1MEN1
SCHEMBL6774160 0.81 HPGD (0.47) ADORA2ATMIGD3ADORA1HPGDADORA2B

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