SCHEMBL10856476

SCHEMBL10856476

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2F)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ HSPB1 P04792 4/20 0.48
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HTT P42858 1/20 0.44
▸ MASP2 O00187 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ POLB P06746 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
SCHEMBL10856751 0.89 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10946782 0.88 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL31009450 0.88 MEN1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11011515 0.88 MEN1 (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8694365 0.85 TDP1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL38930 0.85 TDP1 (0.78) MEN1KMT2ATDP1TTRPPOX
SCHEMBL28965472 0.84 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
Hydrochloric Acid SCHEMBL27554382 0.84 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL1902740 0.84 TDP1 (0.76) MEN1KMT2ATDP1TTRPPOX
SCHEMBL15441532 0.84 TDP1 (0.76) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 — — US disclosed
US-4544400-A HERBICIDES ZOECON CORPORATION (US) 1985-10-01 — — US disclosed
US-4526608-A Weed control ZOECON CORPORATION (US) 1985-07-02 — — US disclosed
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