SCHEMBL9575673

SCHEMBL9575673

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ TTR P02766 1/20 0.70
▸ PPOX P50336 1/20 0.70
▸ FFAR1 O14842 3/20 0.45
▸ LMNA P02545 6/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.40
▸ PYGL P06737 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ KCNH2 Q12809 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
SCHEMBL9343406 0.92 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10603393 0.88 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10604884 0.86 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL31614705 0.86 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.86 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL30749491 0.86 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9342792 0.86 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10603955 0.85 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10603239 0.85 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379350 0.85 MEN1 (0.68) 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-5214190-A Nitrophenyl ether herbicides JOHNSON WAYNE O (US) 1993-05-25 — — US disclosed
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