SCHEMBL3266103

SCHEMBL3266103

Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n(C)c1=O

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.79
SMN1; SMN2 Q16637 2/20 0.75
LMNA P02545 1/20 0.75
RXFP1 Q9HBX9 2/20 0.61
POLB P06746 1/20 0.61
TRPA1 O75762 7/20 0.61
THRB P10828 1/20 0.60
PORCN Q9H237 3/20 0.58
TP53 P04637 1/20 0.57
KMT2A Q03164 1/20 0.56

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
SCHEMBL10114670 0.92 MAPT (0.82) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL18166618 0.92 MAPT (0.79) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL18166566 0.91 MAPT (0.75) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL10113946 0.91 MAPT (0.79) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL18166657 0.91 MAPT (0.82) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL9972920 0.91 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL9933508 0.90 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1POLB
SCHEMBL18166635 0.90 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL10114095 0.90 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1TRPA1
SCHEMBL18166626 0.90 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1POLB

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 4 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
WO-2010036821-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS HYDRA BIOSCIENCES, INC. (US) 2010-04-01 WO disclosed