SCHEMBL28409114

SCHEMBL28409114

COC(=O)C1([N+](=O)[O-])C=CC=C(c2cccc(Cl)c2)C1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.36
SLC6A2 P23975 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 5/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR2 P34972 2/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
S1PR4 O95977 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL28414541 0.88 SLC6A3 (0.38) SLC6A3SLC6A2ALDH1A1MAPTLMNA
SCHEMBL28412341 0.87 MEN1 (0.32) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL28401560 0.86 NPC1 (0.34) ALDH1A1MAPTMEN1KMT2ACNR2
SCHEMBL6846856 0.75 FBP1 (0.37) ALDH1A1CNR2L3MBTL1
SCHEMBL11638785 0.65 KDM4E (0.31) ALDH1A1MAPTLMNAKMT2AALOX12
SCHEMBL11715755 0.64 LMNA (0.30) ALDH1A1MAPTLMNAKMT2AALOX12
SCHEMBL7426060 0.63 ALDH1A1 (0.32) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL6850656 0.61 CRHBP (0.34) ALDH1A1TDP1
SCHEMBL28712291 0.59 KMT2A (0.34) SLC6A3SLC6A2ALDH1A1MAPTLMNA
SCHEMBL5091273 0.58 ALDH1A1 (0.48) SLC6A3SLC6A2ALDH1A1MAPTLMNA

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-108101845-B Preparation method of eltrombopag 苏州科伦药物研究有限公司 2020-05-15 CN disclosed