SCHEMBL28414541

SCHEMBL28414541

COC(=O)C1([N+](=O)[O-])C=CC=C(c2cccc(Cl)c2)C1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 1/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 1/20 0.33
CNR2 P34972 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ATM Q13315 1/20 0.31
NUDT1 P36639 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
PAX8 Q06710 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR1 P21554 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
SCHEMBL28409114 0.88 SLC6A3 (0.36) SLC6A3SLC6A2MAPTMEN1LMNA
SCHEMBL28401560 0.77 NPC1 (0.34) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28412341 0.75 MEN1 (0.32) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL7426060 0.71 ALDH1A1 (0.32) MEN1LMNAKMT2AALDH1A1HPGD
SCHEMBL6846856 0.65 FBP1 (0.37) ALDH1A1CNR2L3MBTL1CNR1
SCHEMBL11715755 0.63 LMNA (0.30) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL28700917 0.60 CYP1A2 (0.32)
SCHEMBL28712291 0.58 KMT2A (0.34) SLC6A3SLC6A2MAPTMEN1LMNA
SCHEMBL5091273 0.58 ALDH1A1 (0.48) SLC6A3SLC6A2MAPTMEN1LMNA
SCHEMBL7827008 0.57 PLAU (0.59) SLC6A3SLC6A2MAPTCA1CA2

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