SCHEMBL5206201

SCHEMBL5206201

Cc1oc(-c2ccccc2)nc1CSc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2OC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
TP53 P04637 5/20 0.41
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL5285784 0.95 MAPT (0.42) MAPTTP53POLBALDH1A1USP2
SCHEMBL5207316 0.93 MAPT (0.48) MAPTTP53POLB
SCHEMBL5299157 0.90 MAPT (0.44) MAPTTP53LMNAALDH1A1GAA
SCHEMBL2519786 0.88 MAPT (0.44) MAPTTP53POLBLMNAALDH1A1
SCHEMBL2519785 0.88 MAPT (0.44) MAPTTP53POLBLMNAALDH1A1
SCHEMBL5278398 0.86 PPARG (0.50) MAPTTP53ALDH1A1
SCHEMBL5213073 0.85 PPARG (0.54)
SCHEMBL2516438 0.83 MAPT (0.43) MAPTTP53POLBALDH1A1USP2
SCHEMBL2516442 0.83 MAPT (0.43) MAPTTP53POLBALDH1A1USP2
SCHEMBL5210830 0.82 MAPT (0.43) MAPTTP53POLB

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