SCHEMBL6260269

SCHEMBL6260269

CNCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
CA1 P00915 5/20 0.45
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STS P08842 1/20 0.42
CA3 P07451 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.40
THRB P10828 1/20 0.39
GAA P10253 1/20 0.35

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
SCHEMBL11021321 1.00 CA2 (0.45) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL6256434 0.82 ALDH1A1 (0.49) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL16622189 0.82 EPHX1 (0.55) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL1169288 0.81 EPHX1 (0.64) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL10619817 0.81 EPHX1 (0.64) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL4561705 0.81 CA2 (0.49) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL30489951 0.80 CA1 (0.48) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL6256496 0.80 CA2 (0.51) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL30288136 0.80 CA2 (0.46) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL28319052 0.80 CA1 (0.43) CA2CA1ALDH1A1POLBSMN1; SMN2

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
WO-2005063842-A1 (POLY-)URETDIONES COMPRISING CHEMICALLY COUPLED PERFLUOROALKYL COMPOUNDS, AND METHOD FOR THE PRODUCTION THEREOF INSTITUT FÜR POLYMERFORSCHUNG DRESDEN E.V. (DE) 2005-07-14 WO disclosed
US-4486391-A FORMATION OF IONOPHORE; URANIUM FROM SEA WATER DAINIPPON INK AND CHEMICALS, INC. (JP) 1984-12-04 US disclosed