SCHEMBL4583927

SCHEMBL4583927

Cc1n[nH]c(=O)c(-c2c(Cl)cccc2Cl)c1-c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.47
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ALDH1A1 P00352 7/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
DRD1 P21728 1/20 0.38
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALPL P05186 1/20 0.36
KMT2A Q03164 2/20 0.35

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
SCHEMBL4584726 0.87 TYMP (0.45) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4608946 0.83 TYMP (0.46) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4582481 0.82 NPSR1 (0.36) POLBDRD1HSD17B10KMT2ACHEK1
SCHEMBL2452085 0.80 TYMP (0.46) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3617725 0.79 TYMP (0.39) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4583147 0.77 DRD1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4582874 0.75 TYMP (0.38) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4600738 0.72 GABRA1 (0.40) TYMPALDH1A1MAPK1MAPTDRD1
SCHEMBL2478481 0.72 TYMP (0.47) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11869781 0.71 ALDH1A1 (0.47) TYMPALDH1A1TSHRMAPK1POLB

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
EP-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed