SCHEMBL9425846

SCHEMBL9425846

NC(=O)NC(=O)O.NC(=O)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.50
LMNA P02545 4/20 0.44
TSHR P16473 2/20 0.44
NFKB1 P19838 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
THPO P40225 1/20 0.44
CA2 P00918 1/20 0.44
CYP3A4 P08684 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
ACHE P22303 1/20 0.43
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
ALDH1A1 P00352 1/20 0.36
OR51E2 Q9H255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL22493 1.00
Hydrogen Peroxide SCHEMBL28780383 1.00
Hydrogen Sulfide SCHEMBL28206899 0.96
SCHEMBL17353590 0.96
Urea SCHEMBL27520574 0.96 CRBN (0.47) CRBNLMNATSHRNFKB1BLM
SCHEMBL23002882 0.96
Hydrochloric Acid SCHEMBL2672461 0.96
SCHEMBL4576144 0.96 CRBN (0.47) CRBNLMNATSHRNFKB1BLM
Water SCHEMBL6337702 0.96
Hydrogen Sulfide SCHEMBL28206896 0.96 CRBN (0.47) CRBNLMNATSHRNFKB1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208720-A1 POLYURETHANE GEL AND PRODUCTION METHOD THEREOF MITSUI CHEMICALS, INC. (JP) 2018-07-26 US disclosed
US-5290902-A Polyisocyanates containing allophanate and isocyanurate groups, a process for their production from cyclic diisocyanates and their use in two-component coating compositions MILES INC. (US) 1994-03-01 US disclosed