SCHEMBL6129582

SCHEMBL6129582

Nc1cccc2nc(C3CCNCC3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
MAPK13 O15264 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
ILK Q13418 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ADORA2A P29274 2/20 0.36
RAF1 P04049 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
ADORA2B P29275 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
SCHEMBL7964868 0.82 HTR2C (0.47) PARP1MEN1KMT2AADORA2AADORA3
SCHEMBL5619953 0.79 PARP1 (0.65) PARP1
SCHEMBL7956610 0.78 HTR2C (0.50) PARP1MEN1KMT2AMAPK13MAPK9
Hydrochloric Acid SCHEMBL18614385 0.78 PARP1 (0.64) PARP1
SCHEMBL5620715 0.77 PARP1 (0.53) PARP1PBK
SCHEMBL7966170 0.76 HSD17B10 (0.43) PARP1MAPTADORA2AADORA2B
SCHEMBL5620666 0.76 PARP1 (0.52) PARP1PBK
SCHEMBL6129581 0.76 PARP1 (0.65) PARP1MEN1KMT2AMAPT
SCHEMBL7965946 0.75 CDK1 (0.40) PARP1MEN1KMT2AMAPK13MAPK9
SCHEMBL531889 0.74 PARP1 (0.52) PARP1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188011-B1 Optimization of ligand affinity for RNA targets using mass spectrometry ISIS PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20050142581-A1 Microrna as ligands and target molecules ISIS PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2005023986-A2 MICRORNA AS LIGANDS AND TARGET MOLECULES ISIS PHARMACEUTICALS, INC. (US) 2005-03-17 WO disclosed
EP-1183091-A4 OPTIMIZATION OF LIGAND AFFINITY FOR RNA TARGETS USING MASS SPECTROMETRY ISIS PHARMACEUTICALS INC (US) 2005-03-02 EP disclosed
US-6770486-B1 IDENTIFICATION OF LIGAND COMPOUNDS THAT BIND TO TARGET MOLECULES SUCH AS PROTEINS OR STRUCTURED RNA WITH AS LITTLE AS MILLIMOLAR (MM) AFFINITY USING MASS SPECTROMETRY ISIS PHARMACEUTICALS, INC. 2004-08-03 US disclosed
EP-1183091-A1 OPTIMIZATION OF LIGAND AFFINITY FOR RNA TARGETS USING MASS SPECTROMETRY ISIS PHARMACEUTICALS, INC. (US) 2002-03-06 EP disclosed
WO-2001058573-A1 OPTIMIZATION OF LIGAND AFFINITY FOR RNA TARGETS USING MASS SPECTROMETRY ISIS PHARMACEUTICALS, INC. (US) 2001-08-16 WO disclosed