SCHEMBL7074014

SCHEMBL7074014

CN(C(=O)CN(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1)c1cccc(CN)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX5 P09917 5/20 0.41
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL7073440 0.93 ATM (0.48) ATMPKMALDH1A1GAALMNA
SCHEMBL267054 0.70 ALOX5 (0.61) ATMPKMALDH1A1GAALMNA
SCHEMBL7074960 0.69 ALOX5 (0.41) ATMPKMALDH1A1GAALMNA
SCHEMBL27326764 0.68 KMT2A (0.54) PKMALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9545369 0.67 ALDH1A1 (0.56) ATMALDH1A1GAALMNASMN1; SMN2
SCHEMBL16274690 0.67 CRHBP (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL27770519 0.66 LOXL2 (0.43) ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL5461014 0.66 SIGMAR1 (0.56) ATMPKMALDH1A1LMNAKDM4E
SCHEMBL7713793 0.65 ALOX5 (0.73) PKMALDH1A1GAALMNAKDM4E
SCHEMBL27543329 0.64 LOXL2 (0.46) ALDH1A1SMN1; SMN2SIGMAR1

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