SCHEMBL11301759

SCHEMBL11301759

Cc1c(F)c(F)c(Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c(C#N)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ TTR P02766 1/20 0.44
▸ PPOX P50336 1/20 0.44
▸ DTYMK P23919 1/20 0.39
▸ TSHR P16473 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ AKR1C3 P42330 3/20 0.36
▸ AKR1C2 P52895 3/20 0.36
▸ AKR1B10 O60218 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ AKR1C4 P17516 1/20 0.36

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
SCHEMBL11810710 0.92 MEN1 (0.44) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11107822 0.84 TDP1 (0.47) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9120594 0.84 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL31118239 0.81 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10658377 0.75 TDP1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11190333 0.75 TDP1 (0.43) MEN1KMT2ATDP1TTRPPOX
SCHEMBL3892796 0.74 TDP1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10430085 0.74 TDP1 (0.43) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11213666 0.73 TDP1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL3890179 0.72 TDP1 (0.56) MEN1KMT2ATDP1TTRPPOX

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-0023100-B1 HERBICIDAL COMPOSITIONS COMPRISING A DIPHENYL ETHER COMPOUND IN ADMIXTURE WITH ANOTHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-10 — — EP disclosed
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