SCHEMBL6550116

SCHEMBL6550116

COc1cc(-c2sc(CC(N)=O)nc2C)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 13/20 0.52
MEN1 O00255 2/20 0.44
PI4KB Q9UBF8 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
GRK6 P43250 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL48824 0.76 ALDH1A1 (0.46) GPR52MEN1LMNAALDH1A1
SCHEMBL48831 0.75 PIK3CG (0.64) PI4KBLMNAMAPTKDM4EALDH1A1
SCHEMBL5508446 0.70 ATAD2 (0.39) GPR52MEN1LMNAKDM4EALDH1A1
SCHEMBL2821323 0.70 GAA (0.49) MEN1LMNAMAPTKDM4EALDH1A1
SCHEMBL10995049 0.69 MAPT (0.60) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL11563534 0.69 MEN1 (0.60) MEN1LMNAMAPTKDM4EALDH1A1
SCHEMBL3638579 0.67 ALDH1A1 (0.54) GPR52MEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL5133373 0.67 GAA (0.56) MEN1PI4KBMAPTALDH1A1SMN1; SMN2
SCHEMBL26479600 0.67 ALDH1A1 (0.40) MEN1PI4KBGRK6ALDH1A1SMN1; SMN2
SCHEMBL2091031 0.66 TDP1 (0.56) MEN1LMNAMAPTKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480962-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS Novartis AG (CH) 2004-12-01 EP disclosed
WO-2003072557-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2003-09-04 WO disclosed