SCHEMBL10441014

SCHEMBL10441014

O=C(NO)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.78
▸ MEN1 O00255 2/20 0.78
▸ KMT2A Q03164 2/20 0.78
▸ TTR P02766 1/20 0.78
▸ PPOX P50336 1/20 0.78
▸ LMNA P02545 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ POLB P06746 2/20 0.49
▸ CCR6 P51684 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ FFAR1 O14842 3/20 0.47
▸ PYGL P06737 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ STK39 Q9UEW8 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
SCHEMBL10441016 1.00 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10991967 0.91 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768714 0.91 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11298723 0.90 TDP1 (0.79) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768750 0.90 TDP1 (0.76) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379343 0.89 TDP1 (0.85) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10991983 0.89 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10888054 0.89 MEN1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768880 0.88 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL8028079 0.88 TDP1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0053679-B1 DIPHENYL ETHER, PREPARATION AND USE AS HERBICIDE BASF Aktiengesellschaft (DE) 1986-01-22 — — EP claimed
EP-0403938-A2 Diphenyl ether derivative, herbicidal composition containing the derivative as active ingredient, and process for producing the derivative MITSUBISHI KASEI CORPORATION (JP) 1990-12-27 — — EP disclosed
US-4426220-A Diphenyl ethers, their preparation and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1984-01-17 — — US disclosed
EP-0053679-A1 Diphenyl ether, preparation and use as herbicide BASF Aktiengesellschaft (DE) 1982-06-16 — — EP disclosed
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