SCHEMBL5285784

SCHEMBL5285784

Cc1oc(-c2ccc(F)cc2)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 11/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TP53 P04637 5/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL5206201 0.95 MAPT (0.42) MAPTTP53ALDH1A1POLBUSP2
SCHEMBL5207316 0.92 MAPT (0.48) MAPTPPARGPPARATP53POLB
SCHEMBL2516438 0.89 MAPT (0.43) MAPTPPARGPPARATP53ALDH1A1
SCHEMBL2516442 0.89 MAPT (0.43) MAPTPPARGPPARATP53ALDH1A1
SCHEMBL5299157 0.88 MAPT (0.44) MAPTPPARGPPARATP53ALDH1A1
SCHEMBL5213251 0.87 TP53 (0.49) MAPTPPARGPPARATP53POLB
SCHEMBL2519786 0.83 MAPT (0.44) MAPTTP53ALDH1A1POLBUSP2
SCHEMBL2519785 0.83 MAPT (0.44) MAPTTP53ALDH1A1POLBUSP2
SCHEMBL5213073 0.82 PPARG (0.54) PPARGPPARA
SCHEMBL5207399 0.82 PPARA (0.42) MAPTPPARGPPARATP53ALDH1A1

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