SCHEMBL6231652

SCHEMBL6231652

O=NN(O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL11370021 0.76 ALDH1A1 (0.42) CA3CA6CA14ALDH1A1ALOX15
SCHEMBL9772299 0.76 ALDH1A1 (0.44) CA12CA9ALDH1A1ALOX15MAPT
SCHEMBL11420038 0.75 ALDH1A1 (0.56) CA1CA2CA12CA3CA4
Cupferron SCHEMBL37151 0.75 ALDH1A1 (0.56) ALDH1A1ALOX15MAPTNPC1RAB9A
Cupferron SCHEMBL451471 0.73 ALDH1A1 (0.54) ALDH1A1ALOX15MAPTNPC1RAB9A
Cupferron SCHEMBL21670426 0.73 ALDH1A1 (0.54) ALDH1A1ALOX15MAPTNPC1RAB9A
Cupferron SCHEMBL3184494 0.73 ALDH1A1 (0.54) ALDH1A1ALOX15MAPTHSD17B10NPC1
Cupferron SCHEMBL21670430 0.73 ALDH1A1 (0.54) ALDH1A1ALOX15MAPTNPC1RAB9A
Cupferron SCHEMBL7506189 0.73 ALDH1A1 (0.54) ALDH1A1ALOX15MAPTNPC1RAB9A
Cupferron SCHEMBL1719170 0.73 ALDH1A1 (0.54) ALDH1A1ALOX15MAPTNPC1RAB9A

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
EP-1185504-B1 STABILIZATION OF N-NITROSOHYDROXYLAMINES BY USE OF ABSORPTIVE MATERIAL ALBEMARLE CORP (US) 2005-05-18 EP disclosed
US-6018078-A N-NITROSOHYDROXYLAMINE METAL COMPLEXES OF GIVEN FORMULA, STABILIZED WITH AN AGENT CAPABLE OF BINDING VAPORS; CONTAINER CONTAINING THEM, AND STABILIZED METAL COMPLEX HAVING NO TOLUENE INSOLUBLES AFTER STORAGE; POLYMERIZATION INHIBITORS FIRST CHEMICAL CORPORATION (US) 2000-01-25 US disclosed