SCHEMBL11221071

SCHEMBL11221071

O=[N+]([O-])c1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ LMNA P02545 5/20 0.42
▸ MAPT P10636 5/20 0.42
▸ POLB P06746 2/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL11137095 0.91 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11134596 0.87 MEN1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11136401 0.84 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL3642300 0.84 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10855862 0.83 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
Water SCHEMBL11136417 0.82 MEN1 (0.48) TDP1MEN1KMT2ATTRPPOX
Hydrochloric Acid SCHEMBL10854043 0.82 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11132086 0.82 MEN1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10849507 0.81 TDP1 (0.63) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8601303 0.81 TDP1 (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014684-B1 2-SUBSTITUTED 5-PHENOXY-PHENYLPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PREPARING THEM AND THEIR USE AS HERBICIDES CIBA-GEIGY AG (CH) 1982-05-19 — — EP claimed
EP-0014684-A2 2-Substituted 5-phenoxy-phenylphosphonic acid derivatives, process for preparing them and their use as herbicides CIBA-GEIGY AG (CH) 1980-08-20 — — EP claimed
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