SCHEMBL8509302

SCHEMBL8509302

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)nc1Oc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
TTR P02766 1/20 0.59
PPOX P50336 1/20 0.59
POLB P06746 2/20 0.46
FGFR4 P22455 1/20 0.45
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MERTK Q12866 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40

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
SCHEMBL10984849 0.89 KMT2A (0.57) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10980211 0.88 KMT2A (0.59) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10990765 0.87 TDP1 (0.55) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9017263 0.85 KMT2A (0.53) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11007482 0.84 MEN1 (0.48) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9854877 0.81 TDP1 (0.55) TDP1KMT2AMEN1TTRPPOX
SCHEMBL9740010 0.80 MEN1 (0.48) TDP1KMT2AMEN1TTRPPOX
SCHEMBL8694365 0.78 TDP1 (0.74) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10706908 0.78 TDP1 (0.74) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10769585 0.77 TDP1 (0.60) TDP1KMT2AMEN1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572093-B1 Herbicidal 2,6-substituted pyridines SHELL INT RESEARCH (NL) 1999-04-14 EP disclosed