SCHEMBL13623903

SCHEMBL13623903

O=C(NC1CCS(=O)(=O)C1)c1cccc(-n2ncc3cc(O)ccc32)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.60
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGDS O60760 1/20 0.50
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
DGAT2 Q96PD7 2/20 0.47
MAPK8 P45983 2/20 0.47
MAPK10 P53779 2/20 0.47
KHK P50053 4/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL18653502 0.88 NR3C1 (0.58) NR3C1ALDH1A1MAPTL3MBTL1HPGDS
SCHEMBL18013554 0.82 NR3C1 (0.55) NR3C1HPGDSMAPK8MAPK10KHK
SCHEMBL13623919 0.78 MAPK10 (0.67) MAPK8MAPK10
SCHEMBL13624663 0.77 MAPK10 (0.49) NR3C1ALDH1A1MAPTL3MBTL1HPGDS
SCHEMBL13624505 0.76 MAPK10 (0.55) HPGDSMAPK8MAPK10
SCHEMBL1413313 0.76 NR3C1 (1.00) NR3C1
SCHEMBL13624133 0.75 MAPK10 (0.54) HPGDSMAPK8MAPK10
SCHEMBL13624667 0.75 MAPK10 (0.51) NR3C1MAPK8MAPK10
SCHEMBL13623928 0.73 MAPK10 (0.48) NR3C1MAPK8MAPK10
SCHEMBL13380594 0.73 NR3C1 (0.83) NR3C1

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
WO-2009142569-A1 PHENYL OR PYRIDINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 WO disclosed