SCHEMBL825308

SCHEMBL825308

CCCCCCCCN1CCN(Cn2cccn2)CC(C)NC(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
SCARB1 Q8WTV0 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL825399 0.84 L3MBTL1 (0.35) L3MBTL1SIGMAR1MEN1HTTKMT2A
SCHEMBL825248 0.84 L3MBTL1 (0.34) L3MBTL1SIGMAR1MEN1HTTKMT2A
SCHEMBL1333423 0.82 GNAI3 (0.46) L3MBTL1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3381592 0.78 SOD3 (0.47) SIGMAR1KDM4ELMNAGNAI3GNAO1
SCHEMBL3100086 0.74 SIGMAR1 (0.60) SIGMAR1MEN1HTTKMT2AALDH1A1
SCHEMBL3106230 0.72 SIGMAR1 (0.57) SIGMAR1MEN1HTTKMT2AALDH1A1
SCHEMBL6114927 0.69 TBXAS1 (0.47) HTTMAPK1KDM4ELMNA
SCHEMBL6114716 0.69 TBXAS1 (0.47) HTTMAPK1KDM4ELMNA
SCHEMBL5691507 0.69 TBXAS1 (0.47) HTTMAPK1KDM4ELMNA
SCHEMBL11438392 0.69 TBXAS1 (0.47) HTTMAPK1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034785-B2 Accelerator solution and process for curing curable resins AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-05-19 US disclosed
EP-2582744-B1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS AKZO NOBEL CHEMICALS INT BV (NL) 2014-03-26 EP disclosed
US-20130211013-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2013-08-15 US disclosed
EP-2582744-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS Akzo Nobel Chemicals International B.V. (NL) 2013-04-24 EP disclosed
WO-2011157673-A1 ACCELERATOR SOLUTION AND PROCESS FOR CURING CURABLE RESINS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-12-22 WO disclosed