SCHEMBL7029112

SCHEMBL7029112

Cc1nc2c(O)cc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
PKM P14618 1/20 0.48
CASP6 P55212 1/20 0.48
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
GPR35 Q9HC97 3/20 0.42
MAPK1 P28482 2/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL15022789 0.81 NQO2 (0.48) HTTMAPTKDM4ETDP1RAB9A
SCHEMBL3970321 0.81 HTT (0.40) HTTMAPTKDM4ETDP1RAB9A
SCHEMBL2919366 0.80 DHODH (0.57) MAPTMAPK1DHODH
SCHEMBL2921100 0.80 PKM (0.39) HTTMAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL7261468 0.78 ALDH1A1 (0.41) HTTMAPTKDM4ETDP1RAB9A
SCHEMBL3964658 0.78 HTT (0.40) HTTMAPTKDM4ETDP1RAB9A
SCHEMBL3969162 0.77 NPBWR1 (0.37) HTTMAPTKDM4ETDP1RAB9A
SCHEMBL12999439 0.77 KMT2A (0.42) HTTMAPTRAB9ASMN1; SMN2PKM
SCHEMBL7031597 0.76 HTT (0.49) HTTMAPTKDM4ERAB9ANPC1
SCHEMBL7029119 0.75 MEN1 (0.43) HTTMAPTKDM4ETDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030226769-A1 Kit for assaying saccharified protein SODE KOJI (JP) 2003-12-11 US disclosed