SCHEMBL25375407

SCHEMBL25375407

COC(=O)C(=O)N(Cc1ccccn1)Cc1ncccc1C.Cc1cccnc1CNCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.41
GAA P10253 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
ADORA2A P29274 1/20 0.37

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
SCHEMBL25374715 0.93 TRPM8 (0.45) GAATRPM8TSHRL3MBTL1KDM4E
SCHEMBL30482162 0.93 TRPM8 (0.45) GAATRPM8TSHRL3MBTL1KDM4E
SCHEMBL26216106 0.83 TRPM8 (0.49) TRPM8TSHRL3MBTL1KDM4EALDH1A1
SCHEMBL30481998 0.80 SCN8A (0.55) SCN8AGAAL3MBTL1KDM4EALDH1A1
SCHEMBL25376566 0.79 TRPM8 (0.52) SCN8AGAATRPM8L3MBTL1KDM4E
SCHEMBL25376461 0.79 TRPM8 (0.44) GAATRPM8TSHRL3MBTL1KDM4E
SCHEMBL25374213 0.76 SMN1; SMN2 (0.44) TRPM8TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL25376236 0.76 KDM4E (0.45) SCN8AGAATRPM8TSHRL3MBTL1
2-Pyridinecarboxaldehyde SCHEMBL25378590 0.73 SCN8A (0.46) SCN8AGAAL3MBTL1KDM4EMEN1
SCHEMBL25377449 0.72 TRPM8 (0.57) GAATRPM8TSHRL3MBTL1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed