SCHEMBL6778162

SCHEMBL6778162

CCOCc1nc2c(N)ncc(C)c2n1CCCCNS(=O)(=O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.41
TSHR P16473 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
NPY5R Q15761 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP3A4 P08684 1/20 0.37
TLR8 Q9NR97 2/20 0.37
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
HTR6 P50406 2/20 0.36
MAPT P10636 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
SCHEMBL6778433 0.86 TLR7 (0.47) TLR7TSHRALDH1A1MAPK1TLR8
SCHEMBL6778488 0.86 KMT2A (0.44) TLR7TSHRALDH1A1TP53TLR8
SCHEMBL6778425 0.85 TLR7 (0.43) TLR7TLR8
SCHEMBL6778982 0.85 TLR7 (0.40) TLR7TSHRNPC1RAB9AALDH1A1
SCHEMBL6285401 0.84 TLR7 (0.52) TLR7TLR8
SCHEMBL6774751 0.84 TLR7 (0.43) TLR7ALDH1A1MAPK1TLR8
SCHEMBL6783864 0.84 TLR7 (0.45) TLR7TSHRALDH1A1MAPK1TLR8
SCHEMBL6783227 0.83 TLR7 (0.39) TLR7ALDH1A1TLR8HTR7
SCHEMBL6778051 0.83 TLR7 (0.46) TLR7ALDH1A1NPY5RCYP2C9CYP2C19
SCHEMBL6779031 0.83 TLR7 (0.42) TLR7ALDH1A1NPY5RDRD2HTR7

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