SCHEMBL11781925

SCHEMBL11781925

COc1cc(Oc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MERTK Q12866 1/20 0.43
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
SIRT6 Q8N6T7 1/20 0.42
RAF1 P04049 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
POLB P06746 1/20 0.41
PDE7A Q13946 1/20 0.41
CHEK1 O14757 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
SCHEMBL11154715 0.91 TDP1 (0.46) TDP1MAPK1TSHRALDH1A1HTT
SCHEMBL11087821 0.90 TSHR (0.49) TDP1MAPK1TSHRALDH1A1HTT
SCHEMBL11160174 0.85 MAPT (0.47) TDP1MAPK1TSHRALDH1A1LMNA
Chlomethoxyfen SCHEMBL8538106 0.85 TDP1 (0.68) TDP1MAPK1TSHRALDH1A1HTT
Chlomethoxyfen SCHEMBL38653 0.85 TDP1 (0.68) TDP1MAPK1TSHRALDH1A1HTT
SCHEMBL7937740 0.84 TDP1 (0.50) TDP1MAPK1TSHRALDH1A1HTT
SCHEMBL10854101 0.84 TSHR (0.51) TDP1MAPK1TSHRALDH1A1HTT
SCHEMBL11152258 0.84 TSHR (0.61) TDP1MAPK1TSHRALDH1A1HTT
SCHEMBL10817393 0.83 ALDH1A1 (0.56) TDP1MAPK1ALDH1A1HTTLMNA
SCHEMBL11150111 0.83 S1PR4 (0.45) TDP1MAPK1TSHRALDH1A1LMNA

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-3966453-A Herbicidal 2-halo-4-trifluoromethyl-4'-cyanophenyl-ethers ISHIHARA SANGYO KAISHA LTD. (JA) 1976-06-29 US disclosed