SCHEMBL8563358

SCHEMBL8563358

COC(=O)CCC(=O)C(C)(C)NCCCNC(C)(C)C(=O)C(=O)n1ccnc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL8557711 0.85 LMNA (0.39) LMNATHRBCYP2C19CA12CA1
SCHEMBL8565589 0.84 LMNA (0.34) LMNATHRBCYP2C19CA12CA1
SCHEMBL6131586 0.84 LMNA (0.47) LMNATHRBCYP2C19MAPTCA12
SCHEMBL8741531 0.82 LMNA (0.36) LMNATHRBCYP2C19CA12CA1
SCHEMBL8565364 0.77 LMNA (0.39) LMNATHRBCYP2C19CA12CA1
SCHEMBL6131660 0.76 CA12 (0.48) LMNATHRBCYP2C19CA12CA1
SCHEMBL8560363 0.75 CA12 (0.42) LMNATHRBCYP2C19CA12CA1
SCHEMBL8716249 0.75 LMNA (0.35) LMNATHRBCYP2C19CA12CA1
SCHEMBL8559974 0.75 LMNA (0.36) LMNATHRBCYP2C19CA12CA1
SCHEMBL6131569 0.73 LMNA (0.55) LMNATHRBCYP2C19CA12CA1

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-5808091-A DIAGNOSTIC IMAGING AGENT BRACCO INTERNATIONAL B.V. 1998-09-15 US disclosed
US-5688487-A Diagnostic imaging methods using rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1997-11-18 US disclosed