SCHEMBL7539898

SCHEMBL7539898

CCCNCCCCNC(=O)C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 2/20 0.78
CA5A P35218 2/20 0.78
CA5B Q9Y2D0 2/20 0.78
CA14 Q9ULX7 2/20 0.78
CA12 O43570 1/20 0.78
CA2 P00918 1/20 0.78
CA4 P22748 1/20 0.78
CA6 P23280 1/20 0.78
CA7 P43166 1/20 0.78
CA9 Q16790 1/20 0.78
EPHX1 P07099 6/20 0.72
ALDH1A1 P00352 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
POLB P06746 1/20 0.69
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
PAOX Q6QHF9 1/20 0.60
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL18502181 0.92 EPHX1 (0.79) CA3CA5ACA5BCA14CA12
SCHEMBL7539902 0.89 CA3 (0.78) CA3CA5ACA5BCA14CA12
SCHEMBL1274081 0.88 CA3 (1.00) CA3CA5ACA5BCA14CA12
SCHEMBL10228415 0.88 CA3 (1.00) CA3CA5ACA5BCA14CA12
SCHEMBL570465 0.88 CA3 (0.91) CA3CA5ACA5BCA14CA12
SCHEMBL12936102 0.88 CA3 (1.00) CA3CA5ACA5BCA14CA12
SCHEMBL1389225 0.86 EPHX1 (0.96) CA3CA5ACA5BCA14CA12
SCHEMBL3142216 0.86 CA3 (0.95) CA3CA5ACA5BCA14CA12
SCHEMBL10690536 0.84 EPHX1 (1.00) CA3CA5ACA5BCA14CA12
SCHEMBL13010044 0.84 EPHX1 (1.00) CA3CA5ACA5BCA14CA12

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-1200454-A1 BISPLATINUM COMPLEXES ACTIVE THROUGH THE ORAL ROUTE Novuspharma S.p.A. (IT) 2002-05-02 EP disclosed
WO-2001009149-A1 BISPLATINUM COMPLEXES ACTIVE THROUGH THE ORAL ROUTE NOVUSPHARMA S.P.A. (IT) 2001-02-08 WO disclosed