SCHEMBL8936699

SCHEMBL8936699

O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.47
PDK1 Q15118 2/20 0.47
PDK2 Q15119 2/20 0.47
PDK3 Q15120 2/20 0.47
PDK4 Q16654 2/20 0.47
APP P05067 1/20 0.46
PHGDH O43175 1/20 0.46
IDH1 O75874 1/20 0.46
PKM P14618 1/20 0.45
PDE7A Q13946 1/20 0.44
LMNA P02545 1/20 0.44
KCNMA1 Q12791 1/20 0.44
AR P10275 1/20 0.44

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
SCHEMBL4129918 0.85 L3MBTL1 (0.54) MAPTALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL29451808 0.82 PDK1 (0.50) MAPTALDH1A1TSHRPDK1PDK2
SCHEMBL26125825 0.81 ALDH1A1 (0.56) MAPTALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL8734794 0.81 PDK1 (0.40) ALDH1A1TSHRPDK1PDK2PDK3
SCHEMBL1551583 0.80 PDE7A (0.64) MAPTALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL3840810 0.80 MAPT (0.54) MAPTALDH1A1L3MBTL1KDM4EMAPK1
SCHEMBL8736796 0.80 ALDH1A1 (0.40) MAPTALDH1A1KDM4ETSHRPDK1
SCHEMBL6296282 0.80 NPC1 (0.52) MAPTALDH1A1MAPK1PDK1PDK2
SCHEMBL6303134 0.79 PDK1 (0.47) MAPTALDH1A1MAPK1TSHRPDK1
SCHEMBL5103222 0.78 PDK1 (0.71) MAPTALDH1A1L3MBTL1PDK1PDK2

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
US-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed