SCHEMBL5210830

SCHEMBL5210830

Cc1oc(-c2ccccc2)nc1CSc1ccc(S(=O)(=O)N2CCC[C@H]2OC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
TP53 P04637 4/20 0.42
HRH3 Q9Y5N1 2/20 0.42
PDE8B O95263 4/20 0.41
POLB P06746 1/20 0.40
PDE8A O60658 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 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
SCHEMBL5207399 0.93 PPARA (0.42) MAPTTP53POLB
SCHEMBL5210969 0.92 HRH3 (0.44) HRH3
SCHEMBL5206559 0.91 MAPT (0.46) MAPTTP53
SCHEMBL2523386 0.89 MAPT (0.46) MAPTTP53HRH3PDE8BPOLB
SCHEMBL2523387 0.89 MAPT (0.46) MAPTTP53HRH3PDE8BPOLB
SCHEMBL5213499 0.88 MAPT (0.42) MAPTTP53
SCHEMBL5211183 0.88 ALDH1A1 (0.38) MAPTTP53POLB
SCHEMBL5210317 0.86 FFAR1 (0.52) MAPTTP53
SCHEMBL5211136 0.85 PPARG (0.56)
SCHEMBL5205913 0.84 FFAR1 (0.50) MAPTTP53

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
EP-1448523-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2007-08-22 EP claimed