SCHEMBL4608946

SCHEMBL4608946

Cc1n[nH]c(=O)c(-c2cccs2)c1-c1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.46
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
ALPL P05186 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHEK1 O14757 1/20 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
SCHEMBL4583927 0.83 TYMP (0.47) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2452085 0.82 TYMP (0.46) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4582481 0.81 NPSR1 (0.36) KMT2ATDP1POLBHSD17B10NPSR1
SCHEMBL4584726 0.81 TYMP (0.45) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4583334 0.79 NOTUM (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4582585 0.77 GNRHR (0.37) KMT2AMEN1TDP1HPGDALPL
SCHEMBL4582691 0.77 IKBKE (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4610692 0.77 ALDH1A1 (0.37) TYMPKMT2AMEN1TDP1POLB
SCHEMBL3617725 0.75 TYMP (0.39) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4582874 0.74 TYMP (0.38) TYMPGRIN2DGRIN3BGRIN1GRIN2A

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
EP-1978023-A1 Pyridazines as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed
EP-1978023-A1 Pyridazines as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed