SCHEMBL3268718

SCHEMBL3268718

CCOC(=O)c1ccc2nn(O)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B2 P37059 1/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
STAT1 P42224 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
JMJD6 Q6NYC1 2/20 0.48

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
SCHEMBL541988 0.87 NPC1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL29190929 0.86 HPGD (0.55) CA12CA1CA2CA7CA9
SCHEMBL10714551 0.80 NPC1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL2247476 0.79 NPC1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3437613 0.79 NPC1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL10746855 0.79 MAPT (0.62) CA12CA1CA2CA7CA9
SCHEMBL1419962 0.79 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL15823659 0.78 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL11204913 0.77 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL13700394 0.77 CA12 (0.50) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1052223-B1 HYDROTALCITE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL FILM CONTAINING THE SAME KYOWA CHEM IND CO LTD (JP) 2010-06-16 EP disclosed
EP-0976681-B1 Novel fine particulate synthetic chalcoalumite compounds, process for their production, and heat insulator and agricultural film containing the fine particulate synthetic chalcoalumite compounds KYOWA CHEM IND CO LTD (JP) 2003-04-02 EP disclosed
US-6418661-B1 RADIATION ABSORBER; AGRICULTURE KYOWA CHEMICAL INDUSTRY CO LTD (JP) 2002-07-16 US disclosed
US-6306494-B1 USED FOR GREENHOUSE CULTIVATION OR TUNNEL CULTIVATION OF AGRICULTURAL PRODUCTS; ULTRAVIOLET AND VISIBLE LIGHT TRANSMISSION, MECHANICAL STRENGTH AND ELONGATION KYOWA CHEMICAL INDUSTRY CO LTD (JP) 2001-10-23 US disclosed
EP-1052223-A1 HYDROTALCITE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL FILM CONTAINING THE SAME Kyowa Chemical Industry Co., Ltd. (JP) 2000-11-15 EP disclosed
EP-0976681-A2 Novel fine particulate synthetic chalcoalumite compounds, process for their production, and heat insulator and agricultural film containing the fine particulate synthetic chalcoalumite compounds KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 2000-02-02 EP disclosed