SCHEMBL8798476

SCHEMBL8798476

O=C1NC(=Cc2ccc(OCCN3COc4ccc([N+](=O)[O-])cc4C3=O)cc2)C(=O)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 7/20 0.40
PPARG P37231 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CLK1 P49759 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL8798469 0.92 HPGD (0.49) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8798466 0.92 HPGD (0.49) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8797928 0.86 PSEN1 (0.44) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8797677 0.86 CSNK2A2 (0.51) MEN1POLBKMT2AHPGDCSNK2A2
SCHEMBL8796784 0.84 MGAM (0.46) GAAMGAMSIMGAM2HPGD
SCHEMBL8796650 0.84 MAPT (0.42) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL8796699 0.81 CSNK2A2 (0.51) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8797746 0.81 CSNK2A2 (0.43) GAAMGAMSIMGAM2HPGD
SCHEMBL8797031 0.80 MGAM (0.45) GAAMGAMSIMGAM2HPGD
SCHEMBL8796673 0.78 HRH3 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD

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-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed