SCHEMBL6779513

SCHEMBL6779513

Cc1nc(N)c2ncn(CCCCNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TLR7 Q9NYK1 1/20 0.36
MBTD1 Q05BQ5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 1/20 0.35
PKM P14618 2/20 0.35
CA12 O43570 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
ABL1 P00519 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CYP24A1 Q07973 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 1/20 0.33
CA1 P00915 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ILK Q13418 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
SCHEMBL6783971 0.91 ALDH1A1 (0.44) ALDH1A1TLR7HTR1APKMCYP24A1
SCHEMBL6779745 0.89 ALDH1A1 (0.51) ALDH1A1L3MBTL1HTR1APKMCYP24A1
SCHEMBL6774053 0.89 HDAC1 (0.41) ALDH1A1TLR7HTR1APKMCYP24A1
SCHEMBL6781246 0.89 HTR7 (0.39) ALDH1A1HTR1ACA2CA1
SCHEMBL6777208 0.87 DRD2 (0.41) ALDH1A1L3MBTL1PKM
SCHEMBL6287653 0.85 F2 (0.39) ALDH1A1CA12CA2CA9MEN1
SCHEMBL6287659 0.85 F2 (0.39) ALDH1A1CA12CA2CA9MEN1
SCHEMBL6780196 0.84 TLR7 (0.37) ALDH1A1TLR7CA12CA2CA9
SCHEMBL6778222 0.84 ALDH1A1 (0.40) ALDH1A1L3MBTL1HTR1AKMT2A
SCHEMBL6784710 0.82 GLO1 (0.38) L3MBTL1PKMKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100372846-C Sulfonamido substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-03-05 CN claimed
US-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed