SCHEMBL7707339

SCHEMBL7707339

CC(C)(C)OC(=O)NCCCNC(=O)CCCNC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.52
CA2 P00918 6/20 0.50
CA1 P00915 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
CA3 P07451 2/20 0.47
CA5A P35218 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
EPHX1 P07099 1/20 0.45
MAOA P21397 1/20 0.44

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
SCHEMBL20045685 0.91 CA14 (0.60) CA14CA2CA1TDP1ALDH1A1
SCHEMBL23568851 0.88 CA14 (0.48) CA14CA2CA1TDP1ALDH1A1
SCHEMBL20051402 0.88 ALDH1A1 (0.64) CA14CA2CA1TDP1ALDH1A1
SCHEMBL28431795 0.86 TDP1 (0.67) CA14CA2CA1TDP1ALDH1A1
SCHEMBL7816788 0.84 CA14 (0.55) CA14CA2CA1TDP1ALDH1A1
SCHEMBL23465481 0.84 TDP1 (0.51) CA2CA1TDP1MEN1KMT2A
SCHEMBL20051722 0.84 TDP1 (0.51) CA2CA1TDP1MEN1KMT2A
SCHEMBL23568858 0.83 CA14 (0.44) CA14CA2CA1TDP1ALDH1A1
SCHEMBL12656066 0.82 TDP1 (0.61) CA2CA1TDP1POLBMEN1
SCHEMBL23465646 0.82 TDP1 (0.53) CA2CA1TDP1MEN1KMT2A

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
EP-1208109-A2 NUCLEOSIDE ANALOGUES NYCOMED AMERSHAM PLC (GB) 2002-05-29 EP disclosed
WO-2001016150-A2 NUCLEOSIDE ANALOGUES AMERSHAM PLC (GB) 2001-03-08 WO disclosed