SCHEMBL10852601

SCHEMBL10852601

CCP(=O)(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ TTR P02766 1/20 0.62
▸ PPOX P50336 1/20 0.62
▸ FFAR1 O14842 3/20 0.45
▸ LMNA P02545 6/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
Hydrochloric Acid SCHEMBL10855963 0.99 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10851340 0.92 TDP1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10948222 0.90 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10854968 0.89 MEN1 (0.48) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10853995 0.89 TDP1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10855862 0.89 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11137095 0.89 TDP1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11137974 0.88 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10854962 0.88 TDP1 (0.46) MEN1KMT2ATDP1TTRPPOX
Hydrochloric Acid SCHEMBL10854043 0.88 TDP1 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 — — US disclosed
US-4509970-A Substituted phenylphosphinyloxy- and phosphinylthio-iminocarboxylates useful for the control of weeds ZOECON CORPORATION (US) 1985-04-09 — — US disclosed
US-4456465-A HERBICIDES ZOECON CORPORATION (US) 1984-06-26 — — 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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