SCHEMBL27724656

SCHEMBL27724656

O=C(Nc1cccc(C(=O)Cl)c1Cl)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 2/20 0.57
KCNMA1 Q12791 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CTSD P07339 1/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
PHGDH O43175 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
NCOA1 Q15788 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52

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
SCHEMBL394289 0.82 KCNMA1 (0.79) MEN1KMT2ACYP1A2KCNMA1CYP3A4
SCHEMBL28153756 0.82 KMT2A (0.59) MEN1KMT2ACYP1A2KCNMA1CYP3A4
SCHEMBL27704221 0.80 NPC1 (0.59) MEN1KMT2ACYP2D6CYP2C9POLB
SCHEMBL1767333 0.79 TSHR (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL11326278 0.79 CTSD (0.79) MEN1KMT2ACYP1A2KCNMA1CYP3A4
SCHEMBL4958316 0.79 KCNMA1 (0.64) MEN1KMT2ACYP1A2KCNMA1CYP3A4
SCHEMBL7722700 0.79 ALDH1A1 (0.68) MEN1KMT2ACYP1A2KCNMA1CYP3A4
SCHEMBL4958325 0.79 KCNMA1 (0.64) MEN1KMT2ACYP1A2KCNMA1CYP3A4
SCHEMBL28069367 0.79 KCNMA1 (0.78) MEN1KMT2ACYP1A2KCNMA1CYP3A4
SCHEMBL8055970 0.78 KCNMA1 (0.64) MEN1KMT2AKCNMA1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203132-B Insecticidal and bactericidal composition MITSUI CHEMICALS INC 2012-05-23 CN disclosed
CN-101208009-B Composition for preventing and removing pest MITSUI CHEMICALS INC 2011-05-25 CN disclosed
CN-101208009-A Composition for preventing and removing pest MITSUI CHEMICALS INC (JP) 2008-06-25 CN disclosed
CN-101203132-A Insecticidal and bactericidal composition MITSUI CHEMICALS INC (JP) 2008-06-18 CN disclosed