SCHEMBL28075565

SCHEMBL28075565

CC(C)(C)c1cc([N+](=O)[O-])cc(C=O)c1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GALR3 O60755 1/20 0.54
ERN1 O75460 2/20 0.45
TSHR P16473 2/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
PRKDC P78527 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 1/20 0.35
LMNA P02545 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
PTPN1 P18031 1/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL2618846 0.83 MEN1 (0.54) HTTKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL34473937 0.82 MEN1 (0.72) HTTKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL6747694 0.82 MEN1 (0.72) HTTKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL13071682 0.80 ERN1 (0.52) HTTKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL18688897 0.76 SMN1; SMN2 (0.68) HTTKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL7933060 0.71 HTT (0.66) HTTKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL13278283 0.71 HTT (0.66) HTTKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL3236587 0.71 MEN1 (1.00) HTTKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL5162979 0.71 HTT (0.66) HTTKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL3353163 0.70 ERN1 (0.44) HTTKMT2AMEN1SMN1; SMN2L3MBTL1

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
CN-103641765-B ATP-combines the adjusting control agent of cassette transporters 沃泰克斯药物股份有限公司 2016-08-17 CN disclosed