SCHEMBL7676364

SCHEMBL7676364

Nc1nonc1N=Nc1nonc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2889879 0.89 CA12 (0.39) CA12CA1CA2CA9NPC1
SCHEMBL8623178 0.89 CA12 (0.39) CA12CA1CA2CA9NPC1
SCHEMBL7698654 0.78 RECQL (0.50) ALOX15RECQLKMT2A
SCHEMBL13288334 0.78 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL30892508 0.72 ABCC1 (0.40) CA12CA1CA2CA9
SCHEMBL2888771 0.71 CA12 (0.46) CA12CA1CA2CA9NPC1
SCHEMBL13592484 0.70 ALOX15 (0.38) ALOX15RECQL
SCHEMBL29657965 0.70 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL15301909 0.66 RECQL (0.56) CA12CA1CA2CA9RECQL
SCHEMBL15307884 0.66 RECQL (0.51) CA12CA1CA2CA9RECQL

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-6388087-B1 ROCKET PROPELLANTS, EXPLOSIVES FLUOROCHEM INC. 2002-05-14 US disclosed