SCHEMBL3269170

SCHEMBL3269170

COc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1Br

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 1/20 0.62
ALOX15 P16050 1/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
RXFP1 Q9HBX9 3/20 0.57
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
PORCN Q9H237 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TRPA1 O75762 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.51
GAA P10253 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
SCHEMBL18166679 0.93 MAPT (0.77) MAPTSMN1; SMN2LMNAALOX15CYP2C9
SCHEMBL18166732 0.87 MAPT (0.75) MAPTSMN1; SMN2LMNAALOX15CYP2C9
SCHEMBL10113946 0.87 MAPT (0.79) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL18166573 0.85 MAPT (0.73) MAPTSMN1; SMN2LMNAALOX15CYP2C9
SCHEMBL18166692 0.85 MAPT (0.76) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL10114087 0.85 MAPT (1.00) MAPTSMN1; SMN2LMNARXFP1CYP1A2
SCHEMBL18166556 0.85 MAPT (0.73) MAPTSMN1; SMN2LMNAALDH1A1RXFP1
SCHEMBL18166627 0.85 SMN1; SMN2 (0.68) MAPTSMN1; SMN2LMNAALOX15CYP2C9
SCHEMBL3249487 0.84 MAPT (1.00) MAPTSMN1; SMN2LMNARXFP1PORCN
SCHEMBL9933508 0.84 MAPT (0.80) MAPTSMN1; SMN2LMNARXFP1PORCN

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