SCHEMBL14965808

SCHEMBL14965808

O=C(CN1CCOc2nc([N+](=O)[O-])cn2CC1)N1CCN(c2cccc(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ENPP2 Q13822 3/20 0.47
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
ADAMTS5 Q9UNA0 2/20 0.40
SCD O00767 1/20 0.37
MGLL Q99685 1/20 0.37
MMP2 P08253 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
SCHEMBL14966123 0.82 KMT2A (0.52) LMNAKMT2ATDP1MAPTALDH1A1
SCHEMBL14966005 0.81 PKM (0.45) LMNAKMT2ATDP1MAPTALDH1A1
SCHEMBL14971161 0.79 KMT2A (0.48) LMNAKMT2ATDP1MAPTALDH1A1
SCHEMBL14965417 0.79 NAMPT (0.43) LMNAKMT2ATDP1MAPTALDH1A1
SCHEMBL14966076 0.79 MEN1 (0.39) LMNAKMT2ATDP1MAPTALDH1A1
SCHEMBL14965857 0.77 ENPP2 (0.36) LMNAENPP2KMT2AMAPTALDH1A1
SCHEMBL14965582 0.75 HSD17B10 (0.38) LMNAKMT2ATDP1MAPTALDH1A1
SCHEMBL14966131 0.75 DRD2 (0.49) KMT2ATDP1ALDH1A1MEN1
SCHEMBL14965746 0.74 DRD2 (0.41) LMNAKMT2AMAPTALDH1A1MEN1
SCHEMBL14965730 0.73 DRD2 (0.37) LMNAKMT2AMAPTALDH1A1MEN1

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
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO claimed
WO-2013072903-A1 NITROIMIDAZOXADIAZOCINE COMPOUNDS ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2013-05-23 WO disclosed