SCHEMBL8032230

SCHEMBL8032230

COc1cc(Cl)c(C(=O)NC(=O)NC(C)C)c([N+](=O)[O-])c1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 2/20 0.38
PYGL P06737 2/20 0.38
POLB P06746 4/20 0.37
G6PD P11413 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCL1 Q07820 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL8035770 0.86 COMT (0.38) MAPTALDH1A1POLBLMNAMAPK1
SCHEMBL8022533 0.82 G6PD (0.38) MAPTKMT2AMEN1PYGLPOLB
SCHEMBL8035129 0.82 ALDH1A1 (0.39) MAPTKMT2AMEN1ALDH1A1PYGL
SCHEMBL8028329 0.81 G6PD (0.37) MAPTKMT2AMEN1PYGLPOLB
SCHEMBL8038459 0.81 TRPV1 (0.39) MAPTALDH1A1G6PDCRHBPCRHR2
SCHEMBL8036155 0.80 MEN1 (0.42) KMT2AMEN1PYGLG6PDCRHBP
SCHEMBL8025556 0.77 NPSR1 (0.42) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL8025557 0.73 FAAH (0.36) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL8028096 0.72 TDP1 (0.35) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL8039179 0.72 PYGL (0.46) MAPTKMT2AMEN1ALDH1A1PYGL

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-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed