SCHEMBL8800977

SCHEMBL8800977

O=C(O)Oc1c[n+]([O-])ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ESR2 Q92731 1/20 0.35
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
CASP6 P55212 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL2885107 0.78 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1L3MBTL1NPC1
SCHEMBL4377981 0.76 MEN1 (0.48) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL8549795 0.75 DTYMK (0.47) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL57737 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL57738 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL15804255 0.73 CYP3A4 (0.39) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL21067091 0.72 NPC1 (0.46) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL10547254 0.72 GPR35 (0.46) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL4375480 0.71 PDE7A (0.49) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL4376514 0.71 LMNA (0.42) ALDH1A1MEN1KMT2ATDP1NPC1

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
EP-0397474-B1 Photosensitive composition TOSHIBA KK (JP) 1997-12-10 EP claimed