SCHEMBL8564815

SCHEMBL8564815

CC(C)(NCC(F)(F)CNC(C)(C)C(=O)CCn1ccnc1[N+](=O)[O-])C(=O)C=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
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
KMT2A Q03164 1/20 0.35
TYMP P19971 3/20 0.31
CCR10 P46092 2/20 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
SCHEMBL6131597 0.90 CA12 (0.41) CA12CA1CA2CA9LMNA
SCHEMBL8563820 0.86 KMT2A (0.42) CA12CA1CA2CA9LMNA
SCHEMBL8716222 0.82 CA12 (0.39) CA12CA1CA2CA9LMNA
SCHEMBL8716200 0.82 CA12 (0.39) CA12CA1CA2CA9LMNA
SCHEMBL6131660 0.80 CA12 (0.48) CA12CA1CA2CA9LMNA
SCHEMBL6131605 0.77 CA12 (0.46) CA12CA1CA2CA9LMNA
SCHEMBL6131546 0.76 KMT2A (0.45) CA12CA1CA2CA9LMNA
SCHEMBL8560363 0.75 CA12 (0.42) CA12CA1CA2CA9LMNA
SCHEMBL5310243 0.75 CA12 (0.43) CA12CA1CA2CA9LMNA
SCHEMBL6131558 0.74 CA12 (0.41) CA12CA1CA2CA9LMNA

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