SCHEMBL10854968

SCHEMBL10854968

CCP(=O)(O)c1cc(Oc2ccc(C(F)(F)F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TTR P02766 1/20 0.48
▸ PPOX P50336 1/20 0.48
▸ LMNA P02545 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 6/20 0.41
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PYGL P06737 1/20 0.39
▸ HSPB1 P04792 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
SCHEMBL10852601 0.89 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
Hydrochloric Acid SCHEMBL10855963 0.88 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10956660 0.88 MEN1 (0.48) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10856496 0.87 LMNA (0.44) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10856761 0.87 MEN1 (0.45) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10852553 0.85 MEN1 (0.45) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10948206 0.84 MEN1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10850818 0.82 MEN1 (0.44) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10946782 0.81 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10851340 0.81 TDP1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 — — US disclosed
EP-0065374-A1 Substituted phosphinates and phosphinothioates and their use for the control of weeds ZOECON CORPORATION (US) 1982-11-24 — — EP disclosed
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