SCHEMBL3248648

SCHEMBL3248648

Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)n(C)c1=O

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.80
SMN1; SMN2 Q16637 3/20 0.72
LMNA P02545 1/20 0.72
RXFP1 Q9HBX9 2/20 0.58
MEN1 O00255 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP1A2 P05177 1/20 0.57
PORCN Q9H237 3/20 0.56
TRPA1 O75762 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 1/20 0.55
ATM Q13315 1/20 0.55
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NPSR1 Q6W5P4 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
SCHEMBL9972920 0.90 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL10114087 0.89 MAPT (1.00) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL9933508 0.88 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1KMT2A
SCHEMBL3249487 0.88 MAPT (1.00) MAPTSMN1; SMN2LMNARXFP1RAB9A
SCHEMBL18166595 0.88 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1MEN1
SCHEMBL10114670 0.88 MAPT (0.82) MAPTSMN1; SMN2LMNARXFP1MEN1
SCHEMBL18166573 0.87 MAPT (0.73) MAPTSMN1; SMN2LMNARXFP1RAB9A
SCHEMBL18166618 0.87 MAPT (0.79) MAPTSMN1; SMN2LMNARXFP1MEN1
SCHEMBL18166626 0.87 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1MEN1
SCHEMBL18166721 0.87 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1MEN1

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 6 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
WO-2010036821-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS HYDRA BIOSCIENCES, INC. (US) 2010-04-01 WO disclosed