SCHEMBL7033558

SCHEMBL7033558

O=[N+]([O-])c1cc(O)c2[nH]cnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
NAMPT P43490 1/20 0.51
XDH P47989 1/20 0.51
PARP1 P09874 1/20 0.46
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GPR35 Q9HC97 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL27476008 0.81 CYP3A4 (0.50) CYP3A4NAMPTXDHPARP1TDP1
SCHEMBL1325050 0.81 CYP3A4 (0.50) CYP3A4NAMPTXDHPARP1TDP1
SCHEMBL2919938 0.81 CYP3A4 (0.46) CYP3A4NAMPTXDHPARP1TDP1
SCHEMBL2919854 0.81 CYP3A4 (0.46) CYP3A4NAMPTXDHPARP1TDP1
SCHEMBL2916877 0.77 CYP1A2 (0.44) CYP3A4NAMPTXDHPARP1TDP1
SCHEMBL7033550 0.75 CYP3A4 (0.54) CYP3A4NAMPTXDHPARP1TDP1
SCHEMBL3071570 0.74 PRKCI (0.41) XDHPARP1TDP1MAPTALDH1A1
SCHEMBL28175858 0.74 PARP1 (0.39) PARP1TDP1MAPTALDH1A1KDM4E
SCHEMBL1325542 0.71 CYP3A4 (0.40) CYP3A4NAMPTXDHPARP1TDP1
SCHEMBL1326254 0.71 CYP3A4 (0.40) CYP3A4NAMPTXDHPARP1TDP1

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