SCHEMBL825190

SCHEMBL825190

C(=CN(Cc1ccccn1)Cc1ccccn1)NCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
LIN28A Q9H9Z2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
CHRM2 P08172 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNA5 P22460 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL825188 1.00 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLIN28ATDP1MAOA
SCHEMBL7519467 0.83 HRH1 (0.45) SMN1; SMN2MAPTLIN28ATDP1MAOA
SCHEMBL7519455 0.83 HRH1 (0.45) SMN1; SMN2MAPTLIN28ATDP1MAOA
SCHEMBL5556275 0.82 SMN1; SMN2 (0.61) SMN1; SMN2MAPTLIN28ATDP1MAOA
SCHEMBL6866606 0.82 MAOA (0.57) SMN1; SMN2MAOAMAOBCHRM2KMT2A
SCHEMBL5556273 0.82 SMN1; SMN2 (0.61) SMN1; SMN2MAPTLIN28ATDP1MAOA
SCHEMBL6866612 0.82 MAOA (0.57) SMN1; SMN2MAOAMAOBCHRM2KMT2A
SCHEMBL13373201 0.76 MAOA (0.50) SMN1; SMN2MAPTMAOAMAOBCHRM2
SCHEMBL8215838 0.76 MAPT (0.53) SMN1; SMN2MAPTLIN28ATDP1MAOA
SCHEMBL8215830 0.76 MAPT (0.53) SMN1; SMN2MAPTLIN28ATDP1MAOA

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-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
US-20020066542-A1 Transition metal complexes with polydentate ligands for enhancing the bleaching and delignifying effect of peroxo compounds DEGUSSA AG (DE) 2002-06-06 US disclosed