SCHEMBL5455377

SCHEMBL5455377

O=C(NC(=S)NCc1ccco1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
POLB P06746 3/20 0.70
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61
ALOX12 P18054 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
RAB9A P51151 1/20 0.58
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 1/20 0.57
THRB P10828 1/20 0.57
APEX1 P27695 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL14096468 0.83 ALDH1A1 (0.77) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL14096469 0.83 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL5449585 0.77 ALDH1A1 (0.67) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL13398449 0.76 ALDH1A1 (0.95) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL5444784 0.75 RAB9A (0.66) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL29484167 0.74 KMT2A (0.67) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL11421510 0.73 KMT2A (0.65) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL5448009 0.72 KMT2A (0.79) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL14096656 0.72 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL5452880 0.72 ALPL (0.80) ALDH1A1MEN1KMT2APOLBLMNA

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
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
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