SCHEMBL11078342

SCHEMBL11078342

CCCn1c(-c2ccccc2)nc2c3ccccc3ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.54
ADORA2B P29275 5/20 0.50
ADORA2A P29274 4/20 0.50
ADORA3 P0DMS8 3/20 0.50
ADORA1 P30542 3/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
CYP2C9 P11712 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TLR7 Q9NYK1 4/20 0.47
TSHR P16473 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL11076876 0.92 TLR8 (0.62) TLR8ADORA2BADORA2AADORA3ADORA1
SCHEMBL11077028 0.88 NLRP3 (0.55) TLR8ADORA2BADORA2AADORA3ADORA1
SCHEMBL9611690 0.80 TLR7 (0.61) TLR8ADORA2BADORA2AADORA3ADORA1
SCHEMBL11079355 0.80 ALDH1A1 (0.55) TLR8KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11435483 0.78 PTGER4 (0.51) TLR8KDM4EALDH1A1HPGDCYP2C9
SCHEMBL28288759 0.76 TLR8 (0.51) TLR8KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11079618 0.76 GRIK2 (0.52) TLR8KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11083637 0.76 ALDH1A1 (0.62) TLR8KDM4EALDH1A1HPGDCYP2C9
SCHEMBL11078753 0.76 TLR8 (0.44) TLR8ADORA2BADORA2AADORA3ADORA1
SCHEMBL11026052 0.76 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10TLR7

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