SCHEMBL18166696

SCHEMBL18166696

Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccn3)cs2)n(C)c1=O

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ LMNA P02545 1/20 0.75
▸ MAPT P10636 2/20 0.70
▸ RXFP1 Q9HBX9 4/20 0.61
▸ CYP1A2 P05177 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ ALOX15 P16050 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TP53 P04637 2/20 0.56
▸ PORCN Q9H237 2/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL18166709 0.90 SMN1; SMN2 (0.73) SMN1; SMN2LMNAMAPTRXFP1CYP1A2
SCHEMBL9972920 0.89 MAPT (0.77) SMN1; SMN2LMNAMAPTRXFP1CYP1A2
SCHEMBL18166618 0.88 MAPT (0.79) SMN1; SMN2LMNAMAPTRXFP1CYP1A2
SCHEMBL18166649 0.86 SMN1; SMN2 (0.82) SMN1; SMN2LMNAMAPTRXFP1CYP1A2
SCHEMBL18166725 0.86 SMN1; SMN2 (0.81) SMN1; SMN2LMNAMAPTRXFP1CYP1A2
SCHEMBL18166722 0.86 SMN1; SMN2 (0.81) SMN1; SMN2LMNAMAPTRXFP1CYP1A2
SCHEMBL18166675 0.86 MAPT (0.73) SMN1; SMN2LMNAMAPTRXFP1CYP1A2
SCHEMBL18166620 0.86 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMAPTRXFP1CYP1A2
SCHEMBL18166680 0.85 SMN1; SMN2 (0.82) SMN1; SMN2LMNAMAPTRXFP1CYP1A2
SCHEMBL3248648 0.85 MAPT (0.80) SMN1; SMN2LMNAMAPTRXFP1CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 — — EP disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 — — EP disclosed
CN-101801362-B Methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2014-01-22 — — CN disclosed
CN-101801362-A methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2010-08-11 — — CN disclosed
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