SCHEMBL9133667

SCHEMBL9133667

O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c(F)c2-c2c(F)cc(C(F)(F)F)cc2Cl)c(-c2c(F)cc(C(F)(F)F)cc2Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ PPOX P50336 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TXNRD1 Q16881 1/20 0.44
▸ TXNRD3 Q86VQ6 1/20 0.44
▸ TXNRD2 Q9NNW7 1/20 0.44
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL10538492 0.85 TDP1 (0.43) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10541849 0.85 TDP1 (0.43) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10540770 0.81 TDP1 (0.52) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10540966 0.79 MAPT (0.43) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11420765 0.78 HSPB1 (0.42) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11766976 0.77 MEN1 (0.37) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10541909 0.77 TDP1 (0.56) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10542178 0.77 TDP1 (0.43) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10542929 0.76 TDP1 (0.45) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10538144 0.75 MEN1 (0.47) TDP1MEN1TTRPPOXKMT2A

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
US-5424280-A Aryloxybenzene herbicidal agents AMERICAN CYANAMID COMPANY (US) 1995-06-13 — — US disclosed
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