SCHEMBL5247202

SCHEMBL5247202

O=S(=O)(c1cccc2cccnc12)C1CC(N2CCC2)CN1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 3/20 0.45
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
GFER P55789 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
HTR6 P50406 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2955805 0.72 ALDH1A1 (0.61) L3MBTL1ALOX15ALDH1A1TSHRGFER
SCHEMBL2955803 0.72 ALDH1A1 (0.61) L3MBTL1ALOX15ALDH1A1TSHRGFER
SCHEMBL28619926 0.69 MAPK1 (0.50) L3MBTL1ALOX15ALDH1A1TSHRGFER
SCHEMBL2953452 0.69 ALDH1A1 (0.77) L3MBTL1ALOX15ALDH1A1TSHRGFER
SCHEMBL5422444 0.67 L3MBTL1 (0.76) L3MBTL1ALOX15ALDH1A1TSHRGFER
SCHEMBL8485302 0.66 MAPK1 (0.53) L3MBTL1ALOX15ALDH1A1TSHRGFER
SCHEMBL31684035 0.66 L3MBTL1 (0.74) L3MBTL1ALOX15ALDH1A1TSHRGFER
SCHEMBL863061 0.65 MAPK1 (0.68) L3MBTL1ALOX15ALDH1A1TSHRGFER
SCHEMBL2712002 0.64 L3MBTL1 (0.71) L3MBTL1ALOX15ALDH1A1TSHRGFER
SCHEMBL7180056 0.63 MAPK1 (0.70) L3MBTL1ALOX15ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed