SCHEMBL11084034

SCHEMBL11084034

CCSc1ccc2c(ccc3c2nc(-c2ccccc2)n3C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.46
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ATM Q13315 1/20 0.37
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
NLRP3 Q96P20 1/20 0.36
HSD11B1 P28845 1/20 0.35
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL11495620 0.88 TLR7 (0.43) TLR7HDAC1HDAC8HDAC6ATM
SCHEMBL11495618 0.83 TLR7 (0.43) TLR7HDAC1HDAC8HDAC6ATM
SCHEMBL11075495 0.82 TLR7 (0.50) TLR7HDAC1HDAC8HDAC6ATM
SCHEMBL9611690 0.78 TLR7 (0.61) TLR7HDAC1HDAC8HDAC6ATM
SCHEMBL11076059 0.77 TLR7 (0.48) TLR7ATMKDM4EHSD17B10HPGD
SCHEMBL11079289 0.75 TLR7 (0.51) TLR7HDAC1HDAC8HDAC6ATM
SCHEMBL11078229 0.72 PARP1 (0.47) TLR7ATMKDM4EHSD17B10ADORA2A
SCHEMBL11440934 0.70 TLR7 (0.49) TLR7ADORA2AADORA2BADORA3ADORA1
SCHEMBL11449199 0.70 TLR7 (0.46) TLR7KDM4EADORA2AADORA2BADORA3
SCHEMBL11495625 0.70 MEN1 (0.39) TLR7DRD2KDM4EHSD17B10ADORA2A

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-4435417-A ANTIINFLAMMATORY AGENTS GRUPPO LEPETIT S.P.A. (IT) 1984-03-06 US disclosed