SCHEMBL10671720

SCHEMBL10671720

O=C(O)c1cc(Oc2c(Cl)ccc(C(F)(F)F)c2F)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ TTR P02766 1/20 0.61
▸ PPOX P50336 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ DTYMK P23919 1/20 0.40
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ EPAS1 Q99814 2/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ AKR1C4 P17516 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ VEGFA P15692 1/20 0.36
▸ AR P10275 2/20 0.36
▸ NOTUM Q6P988 2/20 0.35
▸ EIF4E P06730 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL14896568 0.85 TDP1 (0.67) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10552727 0.82 TDP1 (0.76) TDP1MEN1TTRPPOXKMT2A
Hydrochloric Acid SCHEMBL10553440 0.81 MEN1 (0.74) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10658377 0.81 TDP1 (0.57) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9751309 0.80 TDP1 (0.70) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10961789 0.80 TDP1 (0.72) TDP1MEN1TTRPPOXKMT2A
SCHEMBL31118239 0.80 MEN1 (0.55) TDP1MEN1TTRPPOXKMT2A
SCHEMBL28544623 0.79 TDP1 (0.62) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10668736 0.78 TDP1 (0.64) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8601303 0.78 TDP1 (0.83) TDP1MEN1TTRPPOXKMT2A

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-4778914-A FOR HALOGENATED DIPHENYL ETHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-18 — — US disclosed
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