SCHEMBL4385746

SCHEMBL4385746

CC(CNCCN)NCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA6 P23280 5/20 0.43
CA7 P43166 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
CA5B Q9Y2D0 5/20 0.43
MEN1 O00255 2/20 0.43
RECQL P46063 2/20 0.43
KMT2A Q03164 2/20 0.43
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA5A P35218 4/20 0.41
CA3 P07451 3/20 0.41
ALOX15 P16050 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CA1 P00915 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11405494 0.87 MEN1 (0.31) CA12CA6CA7CA9CA14
SCHEMBL4386775 0.86 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL4542114 0.84 ANPEP (0.39) CA12CA6CA7CA9CA14
SCHEMBL16260099 0.82 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL18814474 0.80 GGT1 (0.38) MEN1RECQLKMT2AALOX15LMNA
SCHEMBL16335714 0.80 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL22043448 0.76
SCHEMBL11831004 0.76 RELA (0.44) CA12CA6CA7CA9CA14
SCHEMBL22043446 0.76 CYP2C19 (0.45) CA12CA6CA7CA9CA14
SCHEMBL9943430 0.76 CA12 (0.41) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017275-B1 POLYAMINE TREATMENT OF NEUROLOGICAL DISORDERS MURPHY MICHAEL A (US) 2009-11-25 EP disclosed
US-6673890-B1 DETERGENTS, DISPERSANTS BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US disclosed
EP-1198492-B1 ZWITTERIONIC POLYAMINES AND A PROCESS FOR THEIR PRODUCTION BASF AG (DE) 2003-10-08 EP disclosed
US-6576672-B1 Parkingson's Disease and dementias characterized by mito-chondrial damage; such as 3,7-diazanonane-1,9-diamine; neutralizing dopamine depriving effect MURPHY MICHAEL A (US) 2003-06-10 US disclosed
EP-1017275-A4 POLYAMINE TREATMENT OF NEUROLOGICAL DISORDERS MURPHY MICHAEL A (US) 2002-12-18 EP disclosed
EP-1017275-A1 POLYAMINE TREATMENT OF NEUROLOGICAL DISORDERS Murphy, Michael A. (US) 2000-07-12 EP disclosed
US-5906996-A Tetramine treatment of neurological disorders MURPHY MICHAEL A (US) 1999-05-25 US disclosed
WO-1999008519-A1 POLYAMINE TREATMENT OF NEUROLOGICAL DISORDERS MURPHY MICHAEL A (US) 1999-02-25 WO disclosed
US-5059391-A USE OF POLYARALKYLAMINES AS CORROSION INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
EP-0306831-B1 USE OF POLYARALKYL AMINES AS CORROSION INHIBITORS BAYER AG (DE) 1991-07-03 EP disclosed
US-4902830-A CORROSION INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1990-02-20 US disclosed
EP-0306831-A1 Use of polyaralkyl amines as corrosion inhibitors BAYER AG (DE) 1989-03-15 EP disclosed
US-4163754-A Fluorinated sulfonamides ICI AMERICAS INC. (US) 1979-08-07 US disclosed