SCHEMBL7074960

SCHEMBL7074960

NC1CCCCC1NC(=O)CN(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.41
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL457103 0.79 L3MBTL1 (0.50) ALOX5POLBL3MBTL1MEN1KMT2A
SCHEMBL267054 0.70 ALOX5 (0.61) ALOX5PKMATMALDH1A1L3MBTL1
SCHEMBL7073440 0.70 ATM (0.48) ALOX5PKMATMALDH1A1LMNA
SCHEMBL31291527 0.70 L3MBTL1 (0.56) ALOX5POLBALDH1A1L3MBTL1MEN1
SCHEMBL7074014 0.69 ATM (0.45) ALOX5PKMATMALDH1A1L3MBTL1
SCHEMBL10024168 0.67 L3MBTL1 (0.50) ALOX5POLBL3MBTL1MEN1KMT2A
SCHEMBL3096606 0.67 MERTK (0.51) ALOX5PKM
SCHEMBL13156526 0.67 MERTK (0.51) ALOX5PKM
SCHEMBL9637883 0.66 EPHX2 (0.62) ALDH1A1MEN1KMT2AMAPT
SCHEMBL4760506 0.66 HDAC4 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091932-B1 CHIRAL STATIONARY PHASES FOR ENANTIOMERS SEPARATION AND THEIR PREPARATION EURAND PHARMACEUTICALS LTD (IE) 2003-06-25 EP disclosed
US-6437167-B1 CHROMATOGRAPHIC COLUMNS FOR ANALYTICAL AND PREPARATIVE SEPARATION OF ENANTIOMERS; INTRODUCTION OF CHIRAL GROUPS ON 1,3-DICYANO-2,4,5,6-TETRACHLOROBENZENE BY SUBSTITUTION OF CHLORINE ATOMS, SPACER GROUP SOCIETA' COOPERATIVE CENTRO RICERCHE POLYTECH A RESPONSABILITIA' LIMITATA (IT) 2002-08-20 US disclosed