SCHEMBL10541909

SCHEMBL10541909

O=C(O)c1c([N+](=O)[O-])ccc(Oc2ccc([N+](=O)[O-])c(C(=O)O)c2-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.56
▸ TTR P02766 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TXNRD1 Q16881 1/20 0.43
▸ TXNRD3 Q86VQ6 1/20 0.43
▸ TXNRD2 Q9NNW7 1/20 0.43

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
SCHEMBL9576842 0.87 TDP1 (0.59) TDP1TTRMEN1PPOXKMT2A
SCHEMBL10540770 0.85 TDP1 (0.52) TDP1TTRMEN1PPOXKMT2A
SCHEMBL10537936 0.85 MEN1 (0.46) TDP1TTRMEN1PPOXKMT2A
SCHEMBL10541041 0.78 MEN1 (0.48) TDP1TTRMEN1PPOXKMT2A
SCHEMBL11108041 0.78 TDP1 (0.61) TDP1TTRMEN1PPOXKMT2A
SCHEMBL11034743 0.78 TDP1 (0.53) TDP1TTRMEN1PPOXKMT2A
SCHEMBL10542929 0.78 TDP1 (0.45) TDP1TTRMEN1PPOXKMT2A
SCHEMBL9133667 0.77 TDP1 (0.47) TDP1TTRMEN1PPOXKMT2A
SCHEMBL10538144 0.77 MEN1 (0.47) TDP1TTRMEN1PPOXKMT2A
SCHEMBL10541427 0.76 TDP1 (0.54) TDP1TTRMEN1PPOXKMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4795825-A METAL OR AMMONIUM SALT OF CARBOXY DERIVATICE ROHM AND HAAS COMPANY (US) 1989-01-03 — — US disclosed
US-4772744-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1988-09-20 — — US disclosed
US-4743703-A Herbicidal 4-fluoroalkyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1988-05-10 — — US disclosed
US-4662935-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1987-05-05 — — US disclosed
US-4613360-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1986-09-23 — — US disclosed
US-4594100-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1986-06-10 — — US disclosed
US-4515988-A PRE- AND POSTEMERGENCE ROHM AND HAAS COMPANY (US) 1985-05-07 — — US disclosed
US-RE31731-E Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers Bayer, Horst O. (US) 1984-11-13 — — US disclosed
US-4445930-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1984-05-01 — — US disclosed
US-4422868-A PLANT GROWTH REGULATORS ROHM AND HAAS COMPANY (US) 1983-12-27 — — US disclosed
US-4419124-A Herbicidal 4-trifluoromethyl-3'-nitrogen-substituted-4'-substituted diphenyl ethers ROHM AND HAAS COMPANY (US) 1983-12-06 — — US disclosed
US-4419123-A Herbicidal 4-trifluoromethyl-3'-carbon-substituted-4'-substituted diphenyl ethers ROHM AND HAAS COMPANY (US) 1983-12-06 — — US disclosed
US-4415354-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES ROHM AND HAAS COMPANY (US) 1983-11-15 — — US disclosed
US-4358308-A PREEMERGENT AND POSTEMERGENT APPLICATION ROHM AND HAAS COMPANY (US) 1982-11-09 — — US disclosed
US-4350522-A Herbicidal 4-trifluoromethyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1982-09-21 — — US disclosed
US-4330324-A PREEMERGENCE APPLICATION ROHM AND HAAS COMPANY (US) 1982-05-18 — — US disclosed
US-4220468-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-09-02 — — US disclosed
US-4185995-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-01-29 — — US disclosed
US-4093446-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1978-06-06 — — US disclosed
US-4046798-A Herbicidal 4-trifluoromethyl-4'nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1977-09-06 — — US disclosed
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