SCHEMBL5337764

SCHEMBL5337764

O=[N+]([O-])C1C(O)Nc2ccccc2C1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MAPT P10636 6/20 0.40
GAA P10253 5/20 0.40
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 4/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.35
IDO1 P14902 1/20 0.35
TDP1 Q9NUW8 5/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GSR P00390 2/20 0.31
ABCC4 O15439 1/20 0.31
PLIN1 O60240 1/20 0.31
CACNA1F O60840 1/20 0.31
GMNN O75496 1/20 0.31
KCNK2 O95069 1/20 0.31

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
SCHEMBL1673261 0.76 IDO1 (0.40) KMT2AMAPTGAAKDM4EMEN1
SCHEMBL5318743 0.70 MAPT (0.37) KMT2AMAPTGAAKDM4EMEN1
SCHEMBL8694063 0.69 IDO1 (0.41) KMT2AMAPTGAAKDM4EMEN1
SCHEMBL12629098 0.68 HSPA1A (0.54) KMT2AMAPTGAAKDM4EMEN1
SCHEMBL14842656 0.67 GAA (0.40) KMT2AMAPTGAAKDM4EMEN1
SCHEMBL28252886 0.66 GAA (0.39) KMT2AMAPTGAAKDM4EMEN1
SCHEMBL28278551 0.64 MAPT (0.43) KMT2AMAPTGAAKDM4EMEN1
SCHEMBL28253646 0.63 GAA (0.37) KMT2AMAPTGAAKDM4EMEN1
SCHEMBL31589753 0.63 ALDH1A1 (0.41) KMT2AMAPTGAAMEN1IDO1
SCHEMBL9389041 0.61 PTPN1 (0.36) KMT2AMAPTGAAMEN1HTT

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
WO-2007079086-A1 PYRAZOLOALKYL SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-12 WO disclosed