SCHEMBL3249487

SCHEMBL3249487

Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 1/20 0.67
TRPA1 O75762 9/20 0.62
RXFP1 Q9HBX9 1/20 0.58
PORCN Q9H237 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
THRB P10828 1/20 0.55
TRPV4 Q9HBA0 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
SCHEMBL18166657 0.90 MAPT (0.82) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL24767680 0.89 MAPT (0.80) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL18166721 0.89 MAPT (0.80) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL10114087 0.89 MAPT (1.00) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL3266103 0.89 MAPT (0.79) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL10113946 0.89 MAPT (0.79) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL3248648 0.88 MAPT (0.80) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL9933508 0.88 MAPT (0.80) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL10114670 0.88 MAPT (0.82) MAPTSMN1; SMN2LMNATRPA1RXFP1
SCHEMBL18166618 0.87 MAPT (0.79) MAPTSMN1; SMN2LMNATRPA1RXFP1

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