SCHEMBL5207399

SCHEMBL5207399

Cc1oc(-c2ccc(F)cc2)nc1CSc1ccc(S(=O)(=O)N2CCC[C@H]2OC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.42
PPARG P37231 4/20 0.42
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL5210830 0.93 MAPT (0.43) MAPTTP53POLB
SCHEMBL5206559 0.92 MAPT (0.46) PPARAPPARGMAPTTP53ALDH1A1
SCHEMBL2521112 0.90 LMNA (0.44) PPARAPPARGMAPTSMN1; SMN2TP53
SCHEMBL2521111 0.90 LMNA (0.44) PPARAPPARGMAPTSMN1; SMN2TP53
SCHEMBL5213499 0.88 MAPT (0.42) PPARAPPARGMAPTTP53ALDH1A1
SCHEMBL5205909 0.86 PPARA (0.49) PPARAPPARGMAPTTP53POLB
SCHEMBL5210969 0.85 HRH3 (0.44) PPARAPPARG
SCHEMBL5211183 0.84 ALDH1A1 (0.38) MAPTSMN1; SMN2TP53ALDH1A1POLB
SCHEMBL2523386 0.83 MAPT (0.46) MAPTTP53ALDH1A1POLBHPGD
SCHEMBL2523387 0.83 MAPT (0.46) MAPTTP53ALDH1A1POLBHPGD

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