SCHEMBL28175162

SCHEMBL28175162

N=C(OCc1ccccc1)C(Cl)(Cl)Cl.NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
OPRK1 P41145 1/20 0.41
PLAU P00749 1/20 0.41

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
SCHEMBL52407 0.90 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL29592808 0.81 ALDH1A1 (0.49) ALDH1A1LMNAOPRK1PLAU
SCHEMBL1968907 0.80 IDO1 (0.47) ALDH1A1KMT2ALMNACA12CA1
SCHEMBL31750770 0.79 CYP1A2 (0.54) L3MBTL1SLC6A2SLC6A3KMT2ALMNA
E1501 SCHEMBL28248733 0.77 ALDH1A1 (0.76) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL24790474 0.76 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Guanidine SCHEMBL27358697 0.75 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13180669 0.75 MEN1 (0.46) ALDH1A1L3MBTL1SLC6A2KMT2ALMNA
SCHEMBL988839 0.75 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL5967958 0.75 FFAR1 (0.52) ALDH1A1TDP1MAPK1SLC6A3KMT2A

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
CN-107205386-A Pyridinamides with fungicidal activity 美国陶氏益农公司 2017-09-26 CN disclosed
CN-107105649-A Pyridinamides with fungicidal activity 美国陶氏益农公司 2017-08-29 CN disclosed