SCHEMBL5161618

SCHEMBL5161618

NCCNCCNCCNN1C=NCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CA5B Q9Y2D0 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA5A P35218 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
ACE2 Q9BYF1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
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
SCHEMBL5831370 0.71 GNAI3 (0.46) ALDH1A1
SCHEMBL1188399 0.68 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL3968889 0.65 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL11591608 0.64 GNAI3 (0.50) CA12CA6CA7CA9CA14
SCHEMBL22551245 0.64 GNAI3 (0.50) CA12CA6CA7CA9CA14
Bromide SCHEMBL7086983 0.63
SCHEMBL25342018 0.63 CA12 (1.00) CA12CA6CA7CA9CA14
Trientine SCHEMBL3840289 0.63 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL25340653 0.63 CA12 (1.00) CA12CA6CA7CA9CA14
Trientine SCHEMBL15439 0.63 CA12 (1.00) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453876-B1 METHOD FOR THE PRODUCTION OF TUBES IN COMPOSITE MATERIALS HUNTSMAN ADV MAT SWITZERLAND (CH) 2007-03-07 EP claimed
EP-1453876-A1 METHOD FOR THE PRODUCTION OF TUBES IN COMPOSITE MATERIALS Huntsman Advanced Materials (Switzerland) GmbH (CH) 2004-09-08 EP claimed
WO-2003031493-A1 METHOD FOR THE PRODUCTION OF TUBES IN COMPOSITE MATERIALS VANTICO GMBH & CO. KG (DE) 2003-04-17 WO claimed
EP-1453876-B1 METHOD FOR THE PRODUCTION OF TUBES IN COMPOSITE MATERIALS HUNTSMAN ADV MAT SWITZERLAND (CH) 2007-03-07 EP disclosed
EP-1453876-B1 METHOD FOR THE PRODUCTION OF TUBES IN COMPOSITE MATERIALS HUNTSMAN ADV MAT SWITZERLAND (CH) 2007-03-07 EP disclosed
EP-1453876-A1 METHOD FOR THE PRODUCTION OF TUBES IN COMPOSITE MATERIALS Huntsman Advanced Materials (Switzerland) GmbH (CH) 2004-09-08 EP disclosed
EP-1453876-A1 METHOD FOR THE PRODUCTION OF TUBES IN COMPOSITE MATERIALS Huntsman Advanced Materials (Switzerland) GmbH (CH) 2004-09-08 EP disclosed
WO-2003031493-A1 METHOD FOR THE PRODUCTION OF TUBES IN COMPOSITE MATERIALS VANTICO GMBH & CO. KG (DE) 2003-04-17 WO disclosed
WO-2003031493-A1 METHOD FOR THE PRODUCTION OF TUBES IN COMPOSITE MATERIALS VANTICO GMBH & CO. KG (DE) 2003-04-17 WO disclosed