SCHEMBL11388198

SCHEMBL11388198

COC(Oc1cc(Oc2c(F)c(F)c(C)c(F)c2Cl)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ TTR P02766 2/20 0.35
▸ PPOX P50336 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ POLB P06746 2/20 0.34
▸ ALB P02768 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ MITF O75030 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GFER P55789 1/20 0.32

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
SCHEMBL11411623 0.83 MEN1 (0.38) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9120594 0.79 MEN1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11287905 0.79 ALDH1A1 (0.46) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11199866 0.79 MAPT (0.33) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9860998 0.78 RAB9A (0.33) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10947425 0.78 GPR35 (0.39) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10766268 0.78 TDP1 (0.42) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11213666 0.78 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11190333 0.77 TDP1 (0.43) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10430085 0.77 TDP1 (0.43) 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
EP-0022626-A1 Substituted nitrodiphenyl ethers, herbicidal compositions containing them and method of combating weeds ROHM AND HAAS COMPANY (US) 1981-01-21 — — EP disclosed
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