SCHEMBL7017703

SCHEMBL7017703

COc1cc([N+](=O)[O-])cc(C(F)(F)F)c1.O=[N+]([O-])c1cc(C(F)(F)F)cc(O)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
HIF1A Q16665 2/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
LMNA P02545 4/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 7/20 0.38
GPR35 Q9HC97 2/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
HTT P42858 4/20 0.37
MAPK1 P28482 3/20 0.37
PLK1 P53350 1/20 0.37
P2RX1 P51575 1/20 0.36

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
SCHEMBL447160 0.83 ALDH1A1 (0.56) TDP1ALDH1A1CYP3A4TSHRHPGD
SCHEMBL444951 0.83 LMNA (0.45) TDP1ALDH1A1CYP3A4TSHRHPGD
SCHEMBL4974489 0.81 MEN1 (0.40) TDP1ALDH1A1CYP3A4TSHRHPGD
SCHEMBL22686949 0.73 MAPT (0.46) LMNAMAPTMEN1KMT2AHTT
SCHEMBL3543571 0.71 ALDH1A1 (0.46) TDP1ALDH1A1CYP3A4TSHRHPGD
SCHEMBL1529083 0.70 ALDH1A1 (0.58) TDP1ALDH1A1CYP3A4TSHRHPGD
SCHEMBL5631287 0.70 P2RX1 (0.40) TDP1ALDH1A1CYP3A4TSHRHPGD
SCHEMBL10918020 0.69 ALDH1A1 (0.43) TDP1ALDH1A1CYP3A4TSHRHPGD
SCHEMBL691025 0.68 TDP1 (0.59) TDP1ALDH1A1CYP3A4TSHRHPGD
SCHEMBL12706902 0.68 TSHR (0.40) TDP1ALDH1A1CYP3A4TSHRHPGD

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-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed