SCHEMBL9751497

SCHEMBL9751497

O=C(Cl)c1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TTR P02766 1/20 0.58
PPOX P50336 1/20 0.58
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 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
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
P2RX1 P51575 1/20 0.38
MAPT P10636 6/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL10553434 0.93 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9751325 0.93 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9751309 0.91 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10748703 0.90 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10806230 0.90 KMT2A (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10673745 0.89 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768748 0.88 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8693593 0.86 MEN1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9134954 0.86 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10780026 0.86 TDP1 (0.52) TDP1MEN1KMT2ATTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992089-A Pre- and postemergence IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
EP-0228788-B1 HERBICIDAL DERIVATIVES OF SUBSTITUTED BENZOYL-HYDRAZINIUM COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-12-27 EP disclosed
US-4778914-A FOR HALOGENATED DIPHENYL ETHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-18 US disclosed
US-4769484-A Phenoxybenzoic acid ester herbicides BAYER AKTIENGESELLSCHAFT (DE) 1988-09-06 US disclosed
EP-0228788-A1 Herbicidal derivatives of substituted benzoyl-hydrazinium compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-15 EP disclosed
EP-0122037-A1 Substituted diphenylether compounds useful as herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-10-17 EP disclosed
EP-0034402-B1 METHOD OF PREPARING FLUORINE-SUBSTITUTED DIPHENYL ETHER DERIVATIVES AND FLUORINE-SUBSTITUTED HALOGENO BENZENE DERIVATIVES FOR USE THEREIN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-29 EP disclosed
US-4388472-A Substituted diphenyl ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-14 US disclosed
US-4384135-A REACTING A SUBSTITUTED BENZOTRIFLUORIDE WITH A SUBSTITUTED PHENOL IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-17 US disclosed
EP-0034402-A2 Method of preparing fluorine-substituted diphenyl ether derivatives and fluorine-substituted halogeno benzene derivatives for use therein IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-26 EP disclosed