SCHEMBL10495353

SCHEMBL10495353

C[S+](C)C.O=C([O-])CCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ TTR P02766 1/20 0.66
▸ PPOX P50336 1/20 0.66
▸ FFAR1 O14842 4/20 0.45
▸ PPARD Q03181 2/20 0.41
▸ LMNA P02545 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ PYGL P06737 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ VDR P11473 1/20 0.38
▸ HPGD P15428 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
SCHEMBL11394251 0.90 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10499965 0.90 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10495348 0.89 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10995334 0.89 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9759369 0.89 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10501353 0.88 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11265405 0.88 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11062686 0.88 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9338282 0.87 MEN1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11024642 0.87 MEN1 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4806682-A Sulfonium salts of diphenyl ethers ROHM AND HAAS COMPANY (US) 1989-02-21 — — US disclosed
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