SCHEMBL27596182

SCHEMBL27596182

O=C(OCCCNc1ncc(C(=O)c2ccccc2F)s1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
MAPK14 Q16539 3/20 0.43
ABL1 P00519 1/20 0.41
RAB9A P51151 2/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.38
BRCA1 P38398 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
SCHEMBL27596191 0.90 HTT (0.44) CTNNB1WNT3AALDH1A1LMNAGLA
SCHEMBL27596193 0.89 PKM (0.44) MAPK14RAB9ACTNNB1WNT3AALDH1A1
SCHEMBL27596328 0.89 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14ABL1
SCHEMBL27596183 0.88 ALDH1A1 (0.40) ABL1RAB9AALDH1A1LMNANPC1
SCHEMBL27596179 0.81 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5568947 0.80 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL27614965 0.80 ALDH1A1 (0.44) MAPK14RAB9AALDH1A1LMNANPC1
SCHEMBL5568944 0.75 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL5563661 0.74 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL5564819 0.73 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14ALDH1A1

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
CN-100363362-C Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2008-01-23 CN disclosed
CN-1639158-A Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2005-07-13 CN disclosed