SCHEMBL6129581

SCHEMBL6129581

Nc1cccc2[nH]c(C3CCNCC3)nc12

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.65
PARP2 Q9UGN5 4/20 0.47
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL31047345 0.91 POLB (0.53) PARP1PARP2POLBMAPTMEN1
SCHEMBL3790798 0.84 PARP1 (0.47) PARP1PARP2POLBMAPTMEN1
SCHEMBL7215446 0.82 PARP1 (0.61) PARP1PARP2POLBMAPTGAA
SCHEMBL5619945 0.79 PARP1 (1.00) PARP1PARP2
SCHEMBL7956612 0.78 PARP1 (0.57) PARP1PARP2POLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL18614383 0.78 PARP1 (0.97) PARP1PARP2
SCHEMBL5620711 0.77 PARP1 (0.79) PARP1PARP2
SCHEMBL6872238 0.76 PARP1 (0.68) PARP1PARP2
SCHEMBL5620662 0.76 PARP1 (0.76) PARP1PARP2
SCHEMBL6872911 0.76 PARP1 (0.61) PARP1PARP2

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