SCHEMBL8564389

SCHEMBL8564389

CC(=O)C(C)(C)NCCCNC(C)(C)C(=O)C(=O)n1c(C)cnc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6131601 0.80 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1
SCHEMBL8557711 0.78 LMNA (0.39) LMNA
SCHEMBL8565270 0.77 MITF (0.31)
SCHEMBL8564887 0.74 TAAR1 (0.35)
SCHEMBL6131614 0.71 LMNA (0.52) LMNA
SCHEMBL6131607 0.70 MITF (0.40) LMNA
SCHEMBL8565364 0.69 LMNA (0.39) LMNA
SCHEMBL8478713 0.68 LMNA (0.51) LMNAALDH1A1
SCHEMBL8741531 0.68 LMNA (0.36) LMNA
SCHEMBL6131605 0.67 CA12 (0.46) SMN1; SMN2LMNA

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