SCHEMBL5352252

SCHEMBL5352252

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1.O=C(Cl)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 3/20 0.46
GPR139 Q6DWJ6 3/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IRAK1 P51617 1/20 0.44
IRAK4 Q9NWZ3 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
SCHEMBL3834631 0.96 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAATML3MBTL1
SCHEMBL6773443 0.85 KMT2A (0.54) ALDH1A1KDM4ELMNAATML3MBTL1
SCHEMBL3835347 0.81 GPR139 (0.52) ATMMEN1KMT2AGPR139
SCHEMBL7197279 0.80 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAL3MBTL1MEN1
SCHEMBL348441 0.78 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAL3MBTL1MEN1
SCHEMBL6773591 0.77 GPR139 (0.53) ALDH1A1KDM4ELMNAATMMEN1
SCHEMBL3839471 0.76 GPR139 (0.47) ATMMEN1KMT2AGPR139
SCHEMBL6778751 0.76 GPR139 (0.47) ALDH1A1ATMMEN1KMT2AGPR139
SCHEMBL6773780 0.75 NAMPT (0.49) ALDH1A1LMNAL3MBTL1HTTMAPT
SCHEMBL27485172 0.75 ATM (0.53) ALDH1A1KDM4ELMNAATML3MBTL1

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-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed