SCHEMBL10998399

SCHEMBL10998399

CC(Nc1cc(Oc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-])C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
SCN9A Q15858 1/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AKR1B10 O60218 1/20 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
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL10992241 0.91 TDP1 (0.47) TDP1MAPTPOLBLMNAALDH1A1
SCHEMBL10994566 0.90 ALDH1A1 (0.46) TDP1MAPTPOLBLMNAALDH1A1
SCHEMBL10998394 0.86 TDP1 (0.42) TDP1MAPTPOLBLMNAALDH1A1
SCHEMBL11000623 0.84 TDP1 (0.46) TDP1MAPTPOLBLMNASMN1; SMN2
SCHEMBL11023973 0.83 TDP1 (0.43) TDP1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL10994335 0.82 LMNA (0.53) TDP1SCN9AMAPTPOLBLMNA
SCHEMBL10996047 0.82 SMN1; SMN2 (0.47) MAPTLMNAALDH1A1SMN1; SMN2MITF
SCHEMBL10996206 0.81 MAPT (0.41) SCN9AMAPTALDH1A1SMN1; SMN2AKR1B10
SCHEMBL10996557 0.81 TDP1 (0.46) TDP1MAPTPOLBLMNAALDH1A1
SCHEMBL10884723 0.80 TDP1 (0.41) TDP1MAPTPOLBLMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4550205-A CONTROLLING WEEDS; LEAF-DESSICATION; DEFOLIATION DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1985-10-29 US disclosed
EP-0080746-B1 NEW DIPHENYL ETHERS HAVING HERBICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-08-21 EP disclosed
EP-0080746-A1 New diphenyl ethers having herbicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-06-08 EP disclosed