SCHEMBL5445810

SCHEMBL5445810

CCOc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.64
MAPT P10636 12/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
RAB9A P51151 4/20 0.64
ALOX12 P18054 3/20 0.64
KMT2A Q03164 6/20 0.63
GAA P10253 3/20 0.63
HPGD P15428 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 5/20 0.62
POLB P06746 1/20 0.60
LMNA P02545 1/20 0.60
CCR6 P51684 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL13454728 0.92 ALDH1A1 (0.67) ALDH1A1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL11068311 0.85 MEN1 (0.57) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL13454701 0.82 ALDH1A1 (0.67) ALDH1A1MAPTNPC1SMN1; SMN2ALOX12
SCHEMBL5455241 0.82 MAPT (0.80) ALDH1A1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL7828920 0.82 ALDH1A1 (0.73) ALDH1A1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL12012121 0.81 ALDH1A1 (0.75) ALDH1A1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL13454726 0.80 ALDH1A1 (0.70) ALDH1A1MAPTNPC1RAB9AALOX12
SCHEMBL18606682 0.79 ALDH1A1 (0.84) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL13454748 0.79 ALDH1A1 (0.68) ALDH1A1MAPTALOX12KMT2AGAA
SCHEMBL4106750 0.78 MEN1 (0.68) ALDH1A1MAPTNPC1SMN1; SMN2RAB9A

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