SCHEMBL5455277

SCHEMBL5455277

O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.76
▸ NPC1 O15118 6/20 0.76
▸ RAB9A P51151 6/20 0.76
▸ POLB P06746 4/20 0.76
▸ ALDH1A1 P00352 7/20 0.70
▸ KMT2A Q03164 7/20 0.67
▸ MEN1 O00255 5/20 0.67
▸ TDP1 Q9NUW8 1/20 0.61
▸ THRB P10828 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ BLM P54132 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ ALOX12 P18054 1/20 0.56
▸ TNF P01375 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ POLA1 P09884 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ NOD1 Q9Y239 1/20 0.56
▸ L3MBTL1 Q9Y468 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
SCHEMBL6796395 0.88 MEN1 (0.81) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL14808169 0.83 MAPT (0.80) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL14445560 0.83 MAPT (0.62) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL3054193 0.81 ALDH1A1 (0.81) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL15778485 0.81 MAPT (0.76) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL5447924 0.80 MAPT (1.00) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL14445607 0.79 TRPV1 (0.60) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL7828920 0.79 ALDH1A1 (0.73) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL30434704 0.78 KMT2A (0.82) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL5455148 0.78 KMT2A (0.82) MAPTNPC1RAB9APOLBALDH1A1

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
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