SCHEMBL11298147

SCHEMBL11298147

C=C(C)C(=O)NCCNCCN.C=C(C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
CA5B Q9Y2D0 4/20 0.39
CA12 O43570 3/20 0.39
CA6 P23280 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA3 P07451 3/20 0.39
CA5A P35218 3/20 0.39
LMNA P02545 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA1 P00915 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PAOX Q6QHF9 4/20 0.37
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL2448920 0.94 CA5B (0.44) TDP1CA5BCA12CA6CA7
SCHEMBL6135318 0.94 CA5B (0.44) TDP1CA5BCA12CA6CA7
SCHEMBL11303971 0.93 PAOX (0.46) TDP1CA5BCA12CA6CA7
SCHEMBL9061857 0.89 TDP1 (0.55) TDP1CA5BCA12CA6CA7
Trientine SCHEMBL732582 0.89 TDP1 (0.55) TDP1CA5BCA12CA6CA7
Trientine SCHEMBL3252613 0.89 TDP1 (0.55) TDP1CA5BCA12CA6CA7
Trientine SCHEMBL3254942 0.89 TDP1 (0.55) TDP1CA5BCA12CA6CA7
SCHEMBL15271465 0.87 PAOX (0.50) TDP1CA5BCA12CA6CA7
SCHEMBL1736356 0.87 TDP1 (0.57) TDP1CA5BCA12CA6CA7
SCHEMBL167512 0.87 TDP1 (0.57) TDP1CA5BCA12CA6CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032905-A4 CONTACT LENSES WITH POLYMER BOUND ASEPTICIZING AGENTS. FOLEY WILLIAM M JUN 1981-08-27 EP disclosed
EP-0032905-A1 CONTACT LENSES WITH POLYMER BOUND ASEPTICIZING AGENTS FOLEY, Jr., William M. (US) 1981-08-05 EP disclosed
WO-1980002840-A1 CONTACT LENSES WITH POLYMER BOUND ASEPTICIZING AGENTS FOLEY W 1980-12-24 WO disclosed