SCHEMBL8936739

SCHEMBL8936739

CNc1cc(Oc2ccc(C(F)(F)F)cc2Cn2cncn2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.39
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 2/20 0.39
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9202877 0.90 PKM (0.40) PKMSLC6A4TLR2TLR1CYP2C9
SCHEMBL9198771 0.88 PKM (0.41) PKMHTR2ASLC6A4KCNH2LMNA
SCHEMBL9196269 0.87 CYP19A1 (0.43) MEN1KMT2APKMHTR2ASLC6A4
SCHEMBL9201983 0.86 PKM (0.41) MEN1KMT2ATDP1PKMALDH1A1
SCHEMBL8936755 0.86 PKM (0.41) MEN1KMT2ATDP1PKMHTR2A
SCHEMBL8936771 0.86 TDP1 (0.41) MEN1KMT2ATDP1PKMHTR2A
SCHEMBL8936748 0.85 PKM (0.41) KMT2APKMHTR2ASLC6A4KCNH2
SCHEMBL8936779 0.84 SLC6A4 (0.42) HTR2ASLC6A4KCNH2LMNAMAPT
SCHEMBL9201309 0.81 CCR1 (0.45) TDP1PKMHTR2ASLC6A4KCNH2
SCHEMBL8936766 0.78 MAPT (0.41) KMT2ATDP1PKMHTR2ASLC6A4

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