SCHEMBL28628175

SCHEMBL28628175

O=C(Nc1cc(Cl)cc(Br)c1OCc1ccccc1)Nc1cc(Cl)cc(Br)c1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.54
THRB P10828 3/20 0.54
PPIA P62937 4/20 0.52
DHODH Q02127 2/20 0.50
GRIK1 P39086 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLAUR Q03405 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.43
LRRK2 Q5S007 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL6448529 0.77 THRA (0.56) THRATHRBDHODHSMN1; SMN2ESR1
SCHEMBL28629532 0.77 PTGER1 (0.59) PPIAMEN1KMT2A
SCHEMBL29108936 0.74 THRA (0.66) THRATHRBDHODHSMN1; SMN2PLAUR
SCHEMBL6888341 0.73 THRA (0.50) THRATHRBDHODHSMN1; SMN2ESR1
SCHEMBL21408252 0.72 LMNA (0.74) THRATHRBDHODHSMN1; SMN2ESR1
SCHEMBL6279313 0.72 THRA (0.52) THRATHRBSMN1; SMN2
SCHEMBL6080336 0.72 LMNA (0.49) PPIASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6587878 0.72 LMNA (0.49) THRATHRBPPIASMN1; SMN2LMNA
SCHEMBL6587872 0.72 LMNA (0.49) THRATHRBPPIASMN1; SMN2LMNA
SCHEMBL5919087 0.72 THRA (0.62) THRATHRBDHODHSMN1; SMN2ESR1

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-109704982-B Preparation method of eltrombopag intermediate 2-hydroxy-3- (m-carboxyphenyl) aniline 上海天慈国际药业有限公司 2021-09-07 CN disclosed