SCHEMBL4309823

SCHEMBL4309823

NC(=O)[CH]CO/N=C/c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ GRIN2D O15399 2/20 0.49
▸ GRIN3B O60391 2/20 0.49
▸ GRIN1 Q05586 2/20 0.49
▸ GRIN2A Q12879 2/20 0.49
▸ GRIN2B Q13224 2/20 0.49
▸ GRIN2C Q14957 2/20 0.49
▸ GRIN3A Q8TCU5 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TASP1 Q9H6P5 1/20 0.45
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ AMY1A P0DUB6 1/20 0.38

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
SCHEMBL4849644 0.71 TDP1 (0.57) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11101556 0.70 GRIN2D (0.51) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11101559 0.70 GRIN2D (0.51) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8220455 0.69 MAPT (0.50) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10041862 0.69 MAPT (0.50) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24530076 0.67 MAPT (0.68) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8709511 0.67 MAPT (0.68) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11199924 0.67 TDP1 (0.46) MAPTTASP1ALDH1A1TDP1KMT2A
SCHEMBL11199920 0.67 TDP1 (0.46) MAPTTASP1ALDH1A1TDP1KMT2A
SCHEMBL3914151 0.66 IDO1 (0.51) MAPTCYP1A2CYP2C19L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009127726-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-10-22 — — WO disclosed
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