SCHEMBL11748823

SCHEMBL11748823

NC(O)=S.OC(=S)NCc1cccc2ccccc12.[KH]

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
MTNR1A P48039 1/20 0.53
NLN Q9BYT8 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
BCHE P06276 1/20 0.44

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
SCHEMBL5524250 0.85 MTNR1A (0.57) MEN1MAPTKMT2AMTNR1ANLN
SCHEMBL9172150 0.83 MTNR1A (0.55) MEN1MAPTKMT2AMTNR1ANLN
SCHEMBL30496750 0.80 MTNR1A (0.58) MEN1MAPTKMT2AMTNR1ANLN
SCHEMBL4100261 0.80 MTNR1A (0.58) MEN1MAPTKMT2AMTNR1ANLN
SCHEMBL29145305 0.79 MTNR1A (0.62) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL1305042 0.78 MEN1 (0.58) MEN1MAPTKMT2AMTNR1ACHRNB2
Hydrochloric Acid SCHEMBL28128851 0.78 MTNR1A (0.57) MEN1MAPTKMT2AMTNR1ANLN
SCHEMBL1386337 0.78 MTNR1A (0.76) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL22323341 0.78 MEN1 (0.66) MEN1MAPTKMT2AMTNR1ACHRNB2
SCHEMBL22444396 0.77 ALOX12 (0.63) MEN1MAPTKMT2ACA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4009279-A 2-IMINO-1,3-DITHIETANES AMERICAN CYANAMID COMPANY (US) 1977-02-22 US disclosed
US-3997668-A INSECTICIDES, MITICIDE AMERICAN CYANAMID COMPANY (US) 1976-12-14 US disclosed
US-3975528-A Insecticidal 2-imino-1,3-dithietane derivatives AMERICAN CYANAMID COMPANY (US) 1976-08-17 US disclosed