SCHEMBL11301104

SCHEMBL11301104

COC(=O)c1cccc(OC(=O)NC(=O)c2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2[N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ TTR P02766 1/20 0.61
▸ PPOX P50336 1/20 0.61
▸ LMNA P02545 7/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ ALDH1A1 P00352 6/20 0.48
▸ POLB P06746 3/20 0.48
▸ MRGPRX4 Q96LA9 2/20 0.47
▸ MAPT P10636 6/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PYGL P06737 2/20 0.44
▸ CCR6 P51684 2/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL11304000 0.88 MEN1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10996421 0.87 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11306634 0.86 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL31614705 0.83 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.83 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
Acifluorfen-Methyl SCHEMBL30749491 0.83 MEN1 (0.78) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11297023 0.83 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11297149 0.82 TDP1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10996186 0.82 TDP1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11298723 0.82 TDP1 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4263041-A Optionally substituted phenyl, and alkyl N-[5-(2-chloro-4-trifluoromethyl-6-optionally substituted phenoxy)-2-nitro, halo, or cyanobenzoyl]carbamates PPG INDUSTRIES, INC. (US) 1981-04-21 — — US disclosed
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