SCHEMBL7573445

SCHEMBL7573445

C#CCN=Cc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AMY1A P0DUB6 1/20 0.45
GUSB P08236 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PYCR1 P32322 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39

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
SCHEMBL7571235 0.80 GRIN1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7571284 0.80 MAPT (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7571279 0.80 MAPT (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7581586 0.79 MAPT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7581579 0.79 MAPT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7573468 0.76 MAPT (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7573472 0.76 MAPT (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7579739 0.75 LMNA (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7579742 0.75 LMNA (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7575169 0.74 MAOB (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810199-B1 Method for producing propargylamine compounds SUMITOMO CHEMICAL CO (JP) 2002-09-25 EP disclosed
US-5756769-A Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1998-05-26 US disclosed
EP-0810199-A1 Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-03 EP disclosed
EP-0243555-A1 Fungicidal substituted N-(1-iodopropargyl)thiazolidinones CHEVRON RESEARCH COMPANY (US) 1987-11-04 EP disclosed
US-4639460-A Fungicidal substituted N-(1-iodopropargyl)thiazolidinones CHEVRON RESEARCH COMPANY (US) 1987-01-27 US disclosed