SCHEMBL8763279

SCHEMBL8763279

CC(=NO)C(C)(C)NCC(CCn1ccnc1[N+](=O)[O-])CNC(C)(C)C(C)=NO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRK1 P41145 1/20 0.36
CCR10 P46092 2/20 0.35
TYMP P19971 3/20 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
SCHEMBL6131548 0.89 CA12 (0.44) CA12CA1CA2CA9KMT2A
SCHEMBL8764414 0.81 LMNA (0.48) CA12CA1CA2CA9KMT2A
SCHEMBL8764451 0.81 KMT2A (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL8597217 0.80 KMT2A (0.42) CA12CA1CA2CA9KMT2A
SCHEMBL5313900 0.80 KMT2A (0.42) CA12CA1CA2CA9KMT2A
SCHEMBL5313983 0.80 KMT2A (0.42) CA12CA1CA2CA9KMT2A
SCHEMBL5312576 0.80 KMT2A (0.42) CA12CA1CA2CA9KMT2A
SCHEMBL5313975 0.80 KMT2A (0.42) CA12CA1CA2CA9KMT2A
SCHEMBL8597227 0.80 KMT2A (0.42) CA12CA1CA2CA9KMT2A
SCHEMBL8763244 0.78 LMNA (0.39) CA12CA1CA2CA9KMT2A

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
EP-0544412-B1 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INT BV (NL) 1997-07-23 EP claimed