SCHEMBL23624923

SCHEMBL23624923

COc1cc(S(=N)(=O)C2CC2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 2/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
APP P05067 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL28843968 0.84 MAPT (0.49) MAPTTSHRMAPK1POLBHTT
SCHEMBL23624990 0.84 POLB (0.42) MAPTTSHRMAPK1POLB
SCHEMBL23625109 0.84 ALDH1A1 (0.47) MAPTTSHRMAPK1POLBHTT
SCHEMBL23625106 0.84 PDE4A (0.33) MAPTTSHRMAPK1POLBALDH1A1
SCHEMBL23625107 0.81 ALDH1A1 (0.38) POLBALDH1A1GAA
SCHEMBL23624986 0.80 BRD4 (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL3259829 0.80 TSHR (0.68) MAPTTSHRMAPK1POLBHTT
SCHEMBL23624934 0.79 MAPT (0.52) MAPTTSHRMAPK1POLBHTT
SCHEMBL28144975 0.79 MAPT (0.47) MAPTTSHRMAPK1POLBHTT
SCHEMBL23625227 0.77 FYN (0.36) TSHRMAPK1POLBPDE4APDE4B

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-2021138392-A1 AMINOPYRIMIDINE COMPOUNDS TYRA BIOSCIENCES, INC. (US) 2021-07-08 WO disclosed