SCHEMBL8438401

SCHEMBL8438401

CCOCC(C)N(C(=O)CCl)c1c(C)csc1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.79
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 1/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3B P49841 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTR1A P08908 1/20 0.30
SCN1A P35498 1/20 0.30

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
Dimethenamid SCHEMBL5087814 0.88 THRB (1.00) THRBALDH1A1TP53CYP3A4LMNA
Dimethenamid SCHEMBL18223 0.88 THRB (1.00) THRBALDH1A1TP53CYP3A4LMNA
Dimethenamid SCHEMBL53864 0.88 THRB (1.00) THRBALDH1A1TP53CYP3A4LMNA
Dimethenamid SCHEMBL20723471 0.87 THRB (0.97) THRBALDH1A1TP53CYP3A4LMNA
Dimethenamid SCHEMBL20723446 0.87 THRB (0.97) THRBALDH1A1TP53CYP3A4LMNA
SCHEMBL9155572 0.84 THRB (0.74) THRBALDH1A1TP53LMNASMN1; SMN2
Dimethenamid SCHEMBL28212854 0.83 THRB (0.88) THRBALDH1A1TP53LMNASMN1; SMN2
SCHEMBL11569945 0.81 TP53 (0.54) THRBALDH1A1TP53CYP3A4TDP1
SCHEMBL10715783 0.80 THRB (0.72) THRBALDH1A1TP53CYP3A4TDP1
Metolachor SCHEMBL17927060 0.80 THRB (0.78) THRBALDH1A1TP53CYP3A4TDP1

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
EP-0646315-B1 Novel compositions containing an auxin transport inhibitor and another herbicide NOVARTIS AG (CH) 1999-05-12 EP claimed
EP-0646315-B1 Novel compositions containing an auxin transport inhibitor and another herbicide NOVARTIS AG (CH) 1999-05-12 EP disclosed
EP-0646315-A1 Novel compositions containing an auxin transport inhibitor and another herbicide SANDOZ LTD. (CH) 1995-04-05 EP disclosed