SCHEMBL3659532

SCHEMBL3659532

O=[N+]([O-])c1ccccc1CCNc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 7/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
IDO1 P14902 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTR2A P28223 2/20 0.44
SLC6A4 P31645 2/20 0.44
PKM P14618 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
PDE7A Q13946 1/20 0.41
PHGDH O43175 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 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
SCHEMBL2890480 0.89 MAPT (0.55) LMNAALDH1A1MAPTL3MBTL1IDO1
SCHEMBL3658915 0.83 HTR2A (0.51) LMNAALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL3655717 0.78 LMNA (0.47) LMNAALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL641831 0.77 HPGD (0.65) LMNAALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL2890291 0.74 MAPT (0.59) LMNAALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL14992159 0.73 MAPT (0.53) LMNAALDH1A1MAPTL3MBTL1IDO1
SCHEMBL13028326 0.73 HTR2A (0.51) LMNAALDH1A1MAPTL3MBTL1IDO1
SCHEMBL2890310 0.73 HTR2A (0.51) LMNAALDH1A1MAPTL3MBTL1IDO1
SCHEMBL14992720 0.73 MAPT (0.56) LMNAALDH1A1MAPTL3MBTL1IDO1
SCHEMBL28376698 0.71 MAOB (0.66) LMNAALDH1A1MAPTL3MBTL1SMN1; SMN2

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-2220026-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2010-08-25 EP disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 WO disclosed