SCHEMBL28043908

SCHEMBL28043908

C[C](C)CC(=O)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.46
THRB P10828 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RORC P51449 1/20 0.44
HIF1A Q16665 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL9083393 0.86 ALDH1A1 (0.47) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL9083377 0.86 ALDH1A1 (0.47) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL12709974 0.84 ALDH1A1 (0.48) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL31509357 0.82 MAPT (0.56) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL1360146 0.82 MAPT (0.56) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL9080448 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL547498 0.81 KMT2A (0.51) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL20065126 0.81 KMT2A (0.51) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL3109240 0.81 MEN1 (0.48) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL16115687 0.79 MAPT (0.51) SMN1; SMN2KMT2AMEN1MAPTALDH1A1

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-105164122-A Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders Bayer Pharma AG 2015-12-16 CN disclosed