SCHEMBL8539868

SCHEMBL8539868

CCCCN1CCSC1=N

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 7/20 0.56
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRNA1 P02708 1/20 0.37
CHRNA7 P36544 1/20 0.37
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
Iodide SCHEMBL8539638 0.98 INMT (0.57) INMTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL14580451 0.94 INMT (0.54) INMTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4974886 0.80 MEN1 (0.39) INMTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8673154 0.80 INMT (0.50) INMTRAB9ASMN1; SMN2NPC1MAPT
Bromide SCHEMBL8674805 0.78 INMT (0.48) INMTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL11474728 0.76 KMT2A (0.47) INMTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7735363 0.75
SCHEMBL8775918 0.74 MGLL (0.43) INMTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10975928 0.73
SCHEMBL9681470 0.73

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-0592676-B1 IMINOSULFONYLUREA DERIVATIVE AND HERBICIDE NISSAN CHEMICAL IND LTD (JP) 1998-09-30 EP disclosed
US-5686390-A Iminosulfonylurea derivatives and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-11-11 US disclosed
US-5604179-A PLANT GROWTH REGULATOR NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-02-18 US disclosed
US-5500406-A 1-AZOLYLIDENEIMINIOSULFONYL-3-PYRIMIDIN-2-YL UREAS; LOW DOSAGE; HIGH SELECTIVITY; CROPS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1996-03-19 US disclosed
EP-0592676-A1 IMINOSULFONYLUREA DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1994-04-20 EP disclosed