SCHEMBL28552467

SCHEMBL28552467

CCOc1ccccc1-c1ccc(OC(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 8/20 0.44
MAPK1 P28482 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 5/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
NFKB1 P19838 1/20 0.40

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
SCHEMBL28369997 0.84 LMNA (0.54) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL397856 0.80 ALDH1A1 (0.49) GAAMAPTMAPK1KMT2AMEN1
SCHEMBL395708 0.79 ALDH1A1 (0.54) GAAMAPTMAPK1KMT2AMEN1
SCHEMBL16095530 0.77 MAPT (0.58) GAAMAPTMAPK1KMT2AMEN1
SCHEMBL398152 0.75 LMNA (0.46) GAAMAPTMAPK1KMT2AMEN1
SCHEMBL398048 0.73 ALDH1A1 (0.48) GAAMAPTKMT2AMEN1RECQL
SCHEMBL11215385 0.72 GAA (0.51) GAAMAPTMAPK1KMT2AMEN1
SCHEMBL4804000 0.71 SLC9A1 (0.45) GAAMAPTMAPK1KMT2AALDH1A1
SCHEMBL28087088 0.71 LMNA (0.47) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL28087089 0.71 SMN1; SMN2 (0.49) GAAMAPTMAPK1KMT2AMEN1

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-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed