SCHEMBL13812930

SCHEMBL13812930

COc1ccccc1CCOc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 1/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.45
▸ UBA2 Q9UBT2 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43

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
SCHEMBL13812798 0.90 G6PD (0.48) G6PDCRHBPCRHR2MAPTMEN1
SCHEMBL13812670 0.87 NR1H4 (0.48) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL13812763 0.82 GRM5 (0.53) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL13812742 0.82 KCNK3 (0.56) MAPTKMT2AMAPK1SMN1; SMN2RAB9A
SCHEMBL13812792 0.81 GAA (0.60) MAPTKMT2AALDH1A1HTTMAPK1
SCHEMBL13812801 0.80 GRM5 (0.48) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13812774 0.80 SIRT2 (0.57) MAPTKMT2AMAPK1SMN1; SMN2RAB9A
SCHEMBL13812765 0.79 KCNK3 (0.55) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL13812950 0.79 RAB9A (0.58) MAPTKMT2AMAPK1SMN1; SMN2RAB9A
SCHEMBL13812800 0.79 KDM4E (0.50) MAPTMEN1KMT2AALDH1A1MAPK1

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-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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