SCHEMBL5455148

SCHEMBL5455148

O=[N+]([O-])c1cccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.82
ALDH1A1 P00352 4/20 0.82
MAPT P10636 6/20 0.75
POLB P06746 4/20 0.75
MEN1 O00255 4/20 0.72
DDX3X O00571 1/20 0.72
HTT P42858 1/20 0.72
CTDSP1 Q9GZU7 1/20 0.72
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.68
THRB P10828 1/20 0.66
HPGD P15428 1/20 0.66
ALOX12 P18054 1/20 0.66
PKM P14618 2/20 0.64
BLM P54132 1/20 0.64

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
SCHEMBL30434704 1.00 KMT2A (0.82) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL18940697 0.98 KMT2A (0.79) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL5448052 0.95 ALDH1A1 (0.75) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL30542218 0.94 ALDH1A1 (0.73) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL31492044 0.90 KMT2A (0.73) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL6819562 0.89 KMT2A (0.72) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL6811011 0.88 SMN1; SMN2 (0.81) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL29838541 0.86 POLB (0.68) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL3126901 0.86 SMN1; SMN2 (0.73) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL1880400 0.86 POLB (0.68) KMT2AALDH1A1MAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed