SCHEMBL18166556

SCHEMBL18166556

CCOc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
SMN1; SMN2 Q16637 2/20 0.68
LMNA P02545 1/20 0.68
RXFP1 Q9HBX9 4/20 0.60
TP53 P04637 2/20 0.58
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
ATM Q13315 1/20 0.56
TRPA1 O75762 5/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.52
PORCN Q9H237 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
SCHEMBL18166704 0.94 MAPT (0.73) MAPTSMN1; SMN2LMNARXFP1TP53
SCHEMBL9933508 0.90 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1TP53
SCHEMBL18166679 0.87 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1KDM4E
SCHEMBL18166592 0.87 MAPT (0.74) MAPTSMN1; SMN2LMNARXFP1TP53
SCHEMBL18166628 0.87 MAPT (0.74) MAPTSMN1; SMN2LMNARXFP1TP53
SCHEMBL3266103 0.86 MAPT (0.79) MAPTSMN1; SMN2LMNARXFP1TP53
SCHEMBL18166762 0.86 MAPT (0.72) MAPTSMN1; SMN2LMNARXFP1TP53
SCHEMBL3269170 0.85 MAPT (0.74) MAPTSMN1; SMN2LMNARXFP1KDM4E
SCHEMBL18166626 0.85 MAPT (0.77) MAPTSMN1; SMN2LMNARXFP1TP53
SCHEMBL10114087 0.84 MAPT (1.00) MAPTSMN1; SMN2LMNARXFP1TP53

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