SCHEMBL3376705

SCHEMBL3376705

CCCCNP(N)(N)=NP(N)(N)=S

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL3373848 0.87
SCHEMBL3372484 0.83 TSHR (0.31) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL180545 0.75
SCHEMBL18854183 0.71 TSHR (0.35) TSHRCA1CA2
SCHEMBL21480767 0.71 TSHR (0.35) TSHRCA1CA2
SCHEMBL20408652 0.71 TSHR (0.31) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3377643 0.70
SCHEMBL20408651 0.69 ADH1B (0.31) TSHR
SCHEMBL3978227 0.69 TSHR (0.43) TSHR
SCHEMBL21895942 0.68 ADH1B (0.30)

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-1756125-B1 1,1,3,3,3-PENTAAMINO-1-OXO/THIO-1LAMBDA5,3LAMBDA5-DIPHOSPHAZ-2-ENES, METHOD FOR PRODUCING THEM AND THEIR USE AS AGENTS FOR REGULATING OR INHIBITING ENZYMATIC HYDROLYSIS OF UREA PIESTERITZ STICKSTOFF (DE) 2010-11-10 EP disclosed