SCHEMBL8435949

SCHEMBL8435949

NC(=O)NN(NC(N)=O)C(N)=O.[LiH]

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
THPO P40225 1/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
CA5A P35218 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CA9 Q16790 1/20 0.37
CRBN Q96SW2 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
SCHEMBL8434166 1.00 TSHR (0.37) TSHRNFKB1LMNACYP1A2MAOA
SCHEMBL7756366 0.97 LMNA (0.39) TSHRNFKB1LMNACYP1A2MAOA
SCHEMBL9640867 0.84 TSHR (0.30) TSHRNFKB1LMNACYP1A2MAOA
SCHEMBL2891405 0.75 ACHE (0.35) TSHRNFKB1LMNACYP1A2MAOA
SCHEMBL6256698 0.73 ALOX15 (0.41) NFKB1LMNACYP1A2MAOACYP3A4
SCHEMBL1260075 0.69
SCHEMBL27993821 0.69
SCHEMBL1744665 0.67
SCHEMBL8520018 0.66 LMNA (0.36) LMNACYP1A2CA2BLMPMP22
Hydrochloric Acid SCHEMBL27489438 0.65 LMNA (0.38) TSHRNFKB1LMNACYP1A2MAOA

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
US-5922654-A TWO OR MORE ORGANOMETALLIC COMPOUNDS WHERE THE METAL IS A TRANSITION METAL OR SEMIMETAL, OR ZINC; FOR EXAMPLE, ZINC DIALKYLDITHIOPHOSPHATE, OR NICKEL DIALKYLDITHIOCARBAMATE; HIGHER LOAD BEARING PROPERTIES, HIGH TEMPERATURE PERFORMANCE NSK LTD. (JP) 1999-07-13 US disclosed