SCHEMBL455113

SCHEMBL455113

O=C(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Nc1cccc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.76
TAOK1 Q7L7X3 1/20 0.56
RORC P51449 1/20 0.53
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGES O14684 1/20 0.49
MAPT P10636 6/20 0.48
POLB P06746 2/20 0.48
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL455174 0.80 ALOX5 (0.72) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL10424957 0.78 ALOX5 (0.67) ALOX5MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7897974 0.76 MEN1 (0.67) ALOX5MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15056725 0.75 ALOX5 (0.62) ALOX5RORCMEN1KMT2AALDH1A1
SCHEMBL9232842 0.75 ALOX5 (0.78) ALOX5RORCMEN1KMT2AALDH1A1
SCHEMBL7897971 0.74 ALOX5 (0.60) ALOX5MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12113016 0.73 ALOX5 (0.73) ALOX5RORCMEN1KMT2AALDH1A1
SCHEMBL31458344 0.72 TAOK1 (1.00) TAOK1MEN1KMT2AALDH1A1MAPT
SCHEMBL5655627 0.72 TAOK1 (1.00) TAOK1MEN1KMT2AALDH1A1MAPT
SCHEMBL18992223 0.72 ALOX5 (0.72) ALOX5RORCMEN1KMT2AALDH1A1

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