SCHEMBL738742

SCHEMBL738742

CCCCCc1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.59
CYP1A2 P05177 1/20 0.59
EIF4A1 P60842 2/20 0.38
MAPT P10636 1/20 0.38
TLR8 Q9NR97 3/20 0.38

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
SCHEMBL7601681 0.99 APP (0.58) APPCYP1A2EIF4A1MAPTTLR8
SCHEMBL3104713 0.86 APP (0.55) APPCYP1A2TLR8
SCHEMBL563769 0.85 APP (0.66) APPCYP1A2MAPT
SCHEMBL119047 0.84 APP (0.56) APPCYP1A2MAPT
SCHEMBL5681747 0.83 APP (0.55) APPCYP1A2MAPT
SCHEMBL5710520 0.83 APP (0.55) APPCYP1A2MAPT
SCHEMBL10208641 0.83 APP (0.64) APPCYP1A2MAPT
Glucuronate SCHEMBL9538374 0.83 APP (0.43) APPCYP1A2EIF4A1
SCHEMBL4922053 0.83 APP (0.57) APPCYP1A2
SCHEMBL5710642 0.82 APP (0.54) APPCYP1A2

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-5336600-A Incubating samples with fluorescent reagent which has observable decrease in emitted light in presence of microorganisms, kits for screening blood, urine, foods, water drugs or cosmetics BIO MERIEUX (FR) 1994-08-09 US claimed
US-8137925-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-20 US disclosed