SCHEMBL7073440

SCHEMBL7073440

CN(C(=O)CN(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1)c1ccc(CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ALOX5 P09917 5/20 0.42
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
THRA P10827 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PTBP1 P26599 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7074014 0.93 ATM (0.45) ATMALOX5PKMALDH1A1LMNA
SCHEMBL267054 0.71 ALOX5 (0.61) ATMALOX5PKMALDH1A1LMNA
SCHEMBL7074960 0.70 ALOX5 (0.41) ATMALOX5PKMALDH1A1LMNA
SCHEMBL9545369 0.68 ALDH1A1 (0.56) ATMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5461014 0.67 SIGMAR1 (0.56) ATMPKMALDH1A1LMNAKDM4E
SCHEMBL3154611 0.66 TMEM97 (0.55) ATMALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL4890167 0.66 HDAC6 (0.51) ALDH1A1LMNAKDM4ESMN1; SMN2MEN1
Cyclopropane SCHEMBL28215074 0.65 LOXL2 (0.54) ATMALDH1A1SMN1; SMN2CRHBPCRHR2
SCHEMBL1823609 0.65 ATM (0.49) ATMALDH1A1KDM4ETHRATHRB
SCHEMBL3155889 0.64 ALDH1A1 (0.49) ATMALDH1A1GAASMN1; SMN2CRHBP

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