SCHEMBL5455241

SCHEMBL5455241

O=C(NC(=S)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.80
KMT2A Q03164 6/20 0.80
MEN1 O00255 5/20 0.80
GAA P10253 4/20 0.80
NPC1 O15118 3/20 0.80
ALDH1A1 P00352 8/20 0.69
RAB9A P51151 2/20 0.68
POLB P06746 1/20 0.68
HPGD P15428 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL5447924 0.89 MAPT (1.00) MAPTKMT2AMEN1GAANPC1
SCHEMBL7828920 0.88 ALDH1A1 (0.73) MAPTKMT2AMEN1GAANPC1
SCHEMBL8713931 0.87 KMT2A (0.86) MAPTKMT2AMEN1GAANPC1
SCHEMBL18606682 0.85 ALDH1A1 (0.84) MAPTKMT2AMEN1GAANPC1
SCHEMBL5445810 0.82 ALDH1A1 (0.64) MAPTKMT2AMEN1GAANPC1
SCHEMBL13454586 0.81 ALDH1A1 (0.73) MAPTKMT2AMEN1GAANPC1
SCHEMBL3054193 0.81 ALDH1A1 (0.81) MAPTKMT2AMEN1GAANPC1
SCHEMBL28033888 0.81 MAPT (0.67) MAPTKMT2AMEN1GAANPC1
SCHEMBL14096575 0.80 ALDH1A1 (0.70) MAPTKMT2AMEN1GAANPC1
SCHEMBL13454477 0.80 ALDH1A1 (0.74) MAPTKMT2AMEN1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
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