SCHEMBL8557859

SCHEMBL8557859

CC(=O)C(C)(C)NCC(C)CNC(C)(C)C(=O)C(=O)n1ccnc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
OPRK1 P41145 1/20 0.33
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
NOS1 P29475 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 0.86 LMNA (0.39) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL8559974 0.86 LMNA (0.36) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL6131543 0.80 LMNA (0.47) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL8716249 0.80 LMNA (0.35) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL8719637 0.79 LMNA (0.35) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL8741531 0.76 LMNA (0.36) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL6537569 0.76 LMNA (0.39) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL8565589 0.73 LMNA (0.34) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL8563358 0.73 LMNA (0.36) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL8565364 0.73 LMNA (0.39) LMNATHRBCYP2C19KMT2ACYP3A4

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