SCHEMBL5455565

SCHEMBL5455565

O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.76
KDM4E B2RXH2 1/20 0.76
RAB9A P51151 5/20 0.74
NPC1 O15118 4/20 0.74
POLB P06746 2/20 0.74
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
MITF O75030 1/20 0.73
GAA P10253 1/20 0.71
ALDH1A1 P00352 5/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
CA9 Q16790 1/20 0.70
EPHX1 P07099 3/20 0.69
HPGD P15428 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
STAT1 P42224 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
LMNA P02545 1/20 0.63

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
SCHEMBL5448244 0.93 MAPT (0.86) MAPTKDM4ERAB9ANPC1POLB
SCHEMBL3057932 0.92 MAPT (0.73) MAPTKDM4ERAB9ANPC1POLB
Ammonia Solution, Strong SCHEMBL27362324 0.86 MEN1 (0.97) MAPTRAB9ANPC1POLBMEN1
SCHEMBL5450571 0.86 MAPT (0.76) MAPTKDM4ERAB9ANPC1MEN1
SCHEMBL17066681 0.86 GPR55 (0.76) MAPTKDM4ERAB9ANPC1POLB
SCHEMBL5696151 0.85 MEN1 (1.00) MAPTRAB9ANPC1POLBMEN1
SCHEMBL2350357 0.84 MAPT (0.77) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL3057836 0.83 MAPT (0.74) MAPTKDM4ERAB9ANPC1POLB
Iodide SCHEMBL30758586 0.83 MEN1 (0.97) MAPTRAB9ANPC1POLBMEN1
SCHEMBL5078630 0.83 ALDH1A1 (0.79) MAPTRAB9ANPC1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371473-B2 Accelerators for two step adhesive systems Henkel IP & Holding GmbH (DE) 2016-06-21 US disclosed
US-9371473-B2 Accelerators for two step adhesive systems Henkel IP & Holding GmbH (DE) 2016-06-21 US disclosed
US-9365750-B2 Accelerators for curable compositions Henkel IP & Holding GmbH (DE) 2016-06-14 US disclosed
US-9365750-B2 Accelerators for curable compositions Henkel IP & Holding GmbH (DE) 2016-06-14 US disclosed
US-8986847-B2 Accelerator/oxidant/proton source combinations for two part curable compositions Henkel IP & Holding GmbH (DE) 2015-03-24 US disclosed
US-8986847-B2 Accelerator/oxidant/proton source combinations for two part curable compositions Henkel IP & Holding GmbH (DE) 2015-03-24 US 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