SCHEMBL11202007

SCHEMBL11202007

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1CS

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 3/20 0.47
HTR2A P28223 3/20 0.43
SLC6A4 P31645 3/20 0.43
KCNH2 Q12809 3/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL11262239 0.90 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10692395 0.90 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11188320 0.89 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10966622 0.89 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10554944 0.89 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11200532 0.89 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11218119 0.88 TDP1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11217304 0.87 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10992161 0.87 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11129230 0.86 TDP1 (0.60) 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-0077961-A2 Substituted 2-nitro-5-(4-trifluoromethyl-phenoxy) toluols, process for their preparation and their use as herbicides and plant growth regulators BAYER AG (DE) 1983-05-04 EP disclosed