SCHEMBL457103

SCHEMBL457103

NC1CCCCC1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
ALOX5 P09917 1/20 0.43
HK1 P19367 1/20 0.43
HK2 P52789 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
MEN1 O00255 4/20 0.42

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
SCHEMBL31291527 0.90 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2CYP3A4ALOX5HK1
SCHEMBL10024168 0.83 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2CYP3A4ALOX5HK1
SCHEMBL3071849 0.81 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL13139940 0.81 TAS1R3 (0.63) L3MBTL1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL10024167 0.80 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2CYP3A4ALOX5HK1
SCHEMBL13156516 0.80 L3MBTL1 (0.50) L3MBTL1CA1CA2ALOX5HK1
SCHEMBL3101236 0.80 L3MBTL1 (0.50) L3MBTL1CA1CA2ALOX5HK1
SCHEMBL3080624 0.80 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL12443197 0.80 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL7074960 0.79 ALOX5 (0.41) L3MBTL1ALOX5MEN1KMT2APOLB

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-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP claimed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO claimed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US claimed
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP disclosed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO disclosed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US disclosed