SCHEMBL2294061

SCHEMBL2294061

C[C@](CC(=O)O)(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
GAA P10253 2/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
HTT P42858 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 4/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 5/20 0.45

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
SCHEMBL2292726 0.87 MAPT (0.54) MAPTGAACRHBPCRHR2TDP1
SCHEMBL8742131 0.77 MAPT (0.54) MAPTGAACRHBPCRHR2HTT
SCHEMBL3988345 0.77 MAPT (0.54) MAPTGAACRHBPCRHR2HTT
SCHEMBL16508606 0.75 MAPT (0.50) MAPTGAACRHBPCRHR2HTT
SCHEMBL26187892 0.75 MAPT (0.46) MAPTGAACRHBPCRHR2HTT
SCHEMBL15257085 0.74 MAPT (0.53) MAPTGAACRHBPCRHR2HTT
SCHEMBL2294500 0.74 KMT2A (0.47) MAPTGAAHTTTDP1MAPK1
SCHEMBL18473647 0.72 MAPT (0.48) MAPTGAACRHBPCRHR2HTT
SCHEMBL3592020 0.72 MAPT (0.51) MAPTGAACRHBPCRHR2HTT
SCHEMBL13729342 0.71 KMT2A (0.53) MAPTGAAHTTTDP1MAPK1

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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed