SCHEMBL11525932

SCHEMBL11525932

CCC(CCl)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HCAR3 P49019 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
VCAM1 P19320 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
Pendimethalin SCHEMBL14690957 0.92 L3MBTL1 (0.49) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
Pendimethalin SCHEMBL21821 0.92 L3MBTL1 (0.49) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
Pendimethalin SCHEMBL29392877 0.92 L3MBTL1 (0.49) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
Pendimethalin SCHEMBL8373915 0.92 L3MBTL1 (0.49) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
Pendimethalin SCHEMBL27926297 0.91 L3MBTL1 (0.48) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
Pendimethalin SCHEMBL20723668 0.91 L3MBTL1 (0.48) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
Pendimethalin SCHEMBL8057686 0.91 L3MBTL1 (0.48) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11432493 0.87 L3MBTL1 (0.45) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11324335 0.87 ALDH1A1 (0.45) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
Pendimethalin SCHEMBL28241258 0.86 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4165231-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1979-08-21 US claimed
US-4101582-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1978-07-18 US claimed