SCHEMBL11076876

SCHEMBL11076876

CCCCn1c(-c2ccccc2)nc2c3ccccc3ccc21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.62
TSHR P16473 1/20 0.54
TLR7 Q9NYK1 3/20 0.51
ALDH1A1 P00352 3/20 0.50
CASR P41180 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PDE4B Q07343 4/20 0.49
TP53 P04637 1/20 0.45
NR1H3 Q13133 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL11078342 0.92 TLR8 (0.54) TLR8TSHRTLR7ALDH1A1KDM4E
SCHEMBL11079355 0.88 ALDH1A1 (0.55) TLR8TSHRTLR7ALDH1A1CASR
SCHEMBL11077028 0.86 NLRP3 (0.55) TLR8TSHRTLR7ALDH1A1KDM4E
SCHEMBL28288759 0.84 TLR8 (0.51) TLR8TSHRTLR7ALDH1A1CASR
SCHEMBL6917380 0.78 CASR (0.56) TLR8TSHRTLR7ALDH1A1CASR
SCHEMBL9611690 0.78 TLR7 (0.61) TLR8TSHRTLR7ALDH1A1KDM4E
SCHEMBL17819055 0.77 TLR8 (1.00) TLR8CNR1CNR2
SCHEMBL11435483 0.76 PTGER4 (0.51) TLR8ALDH1A1KDM4EHPGDTP53
SCHEMBL9321137 0.76 TP53 (0.72) TLR8TSHRALDH1A1KDM4EHPGD
SCHEMBL11076799 0.75 CASR (0.50) TLR8TSHRALDH1A1CASRKDM4E

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
US-4435417-A ANTIINFLAMMATORY AGENTS GRUPPO LEPETIT S.P.A. (IT) 1984-03-06 US disclosed
EP-0012866-A1 New 3H-naphtho(1,2-d)imidazoles, processes for preparing them, compounds for use as antiinflammatory and antimicrobial agents and compositions for that use containing them GRUPPO LEPETIT S.P.A. (IT) 1980-07-09 EP disclosed