SCHEMBL11219301

SCHEMBL11219301

CCC(C(=O)O)C(CC[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
CPA1 P15085 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL4290124 0.73 MEN1 (0.41) MEN1LMNABLMHBBKMT2A
SCHEMBL4292506 0.73 CA2 (0.52) MEN1LMNABLMHBBKMT2A
SCHEMBL4292504 0.73 CA2 (0.52) MEN1LMNABLMHBBKMT2A
SCHEMBL4298001 0.72 CHRM1 (0.64) MEN1LMNABLMHBBKMT2A
SCHEMBL30819096 0.71 MEN1 (0.52) MEN1LMNABLMHBBKMT2A
SCHEMBL588306 0.70 ALDH1A1 (0.37) MEN1LMNABLMHBBKMT2A
SCHEMBL4296123 0.69 CA2 (0.57) MEN1LMNABLMHBBKMT2A
SCHEMBL3331713 0.69 GABRR1 (0.48) MEN1LMNABLMHBBKMT2A
SCHEMBL15451130 0.69 GABRR1 (0.48) MEN1LMNABLMHBBKMT2A
SCHEMBL28018945 0.68 CPA1 (0.48) MEN1LMNABLMHBBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336085-A MODIFYING THE DETONATION VELOCITY WALKER FRANKLIN E 1982-06-22 US disclosed
US-4304614-A AMMUNITION, DYNAMIC LASERS, FUSES, WELDING WALKER FRANKLIN E 1981-12-08 US disclosed
US-4196026-A LOW MOLECULAR WEIGHT WALKER FRANKLIN E 1980-04-01 US disclosed
US-4142927-A ISOCYANATES, OLEFINS OR IODINE AS SCAVENGERS WALKER FRANKLIN E 1979-03-06 US disclosed