SCHEMBL18166750

SCHEMBL18166750

Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccc3OCCO)cs2)n(C)c1=O

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.75
▸ LMNA P02545 2/20 0.75
▸ MAPT P10636 3/20 0.65
▸ ALOX15 P16050 1/20 0.58
▸ RXFP1 Q9HBX9 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CYP1A2 P05177 1/20 0.54
▸ PORCN Q9H237 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ TRPA1 O75762 1/20 0.51

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
SCHEMBL18166739 0.92 SMN1; SMN2 (0.77) SMN1; SMN2LMNAMAPTALOX15RXFP1
SCHEMBL18166728 0.91 LMNA (0.79) SMN1; SMN2LMNAMAPTALOX15RXFP1
SCHEMBL18166649 0.87 SMN1; SMN2 (0.82) SMN1; SMN2LMNAMAPTALOX15RXFP1
SCHEMBL18166672 0.86 MAPT (0.73) SMN1; SMN2LMNAMAPTRXFP1TP53
SCHEMBL18166722 0.86 SMN1; SMN2 (0.81) SMN1; SMN2LMNAMAPTALOX15RXFP1
SCHEMBL18166620 0.86 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMAPTALOX15RXFP1
SCHEMBL18166725 0.86 SMN1; SMN2 (0.81) SMN1; SMN2LMNAMAPTALOX15RXFP1
SCHEMBL9972920 0.85 MAPT (0.77) SMN1; SMN2LMNAMAPTALOX15RXFP1
SCHEMBL18166680 0.85 SMN1; SMN2 (0.82) SMN1; SMN2LMNAMAPTALOX15RXFP1
SCHEMBL18166603 0.85 MAPT (0.71) SMN1; SMN2LMNAMAPTALOX15RXFP1

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 3 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
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