SCHEMBL18166603

SCHEMBL18166603

Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3cccc(OCCO)c3)cs2)n(C)c1=O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ RXFP1 Q9HBX9 4/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ PORCN Q9H237 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TRPA1 O75762 2/20 0.51
▸ GAA P10253 1/20 0.50

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
SCHEMBL18166762 0.93 MAPT (0.72) MAPTSMN1; SMN2LMNARXFP1KDM4E
SCHEMBL18166573 0.92 MAPT (0.73) MAPTSMN1; SMN2LMNARXFP1KDM4E
SCHEMBL18166672 0.90 MAPT (0.73) MAPTSMN1; SMN2LMNARXFP1KDM4E
SCHEMBL18166721 0.89 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1PORCN
SCHEMBL18166595 0.88 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1PORCN
SCHEMBL18166692 0.87 MAPT (0.76) MAPTSMN1; SMN2LMNARXFP1PORCN
SCHEMBL18166626 0.87 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1PORCN
SCHEMBL9972920 0.86 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1PORCN
SCHEMBL3248648 0.86 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1KDM4E
SCHEMBL18166750 0.85 SMN1; SMN2 (0.75) MAPTSMN1; SMN2LMNARXFP1KDM4E

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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