SCHEMBL28008503

SCHEMBL28008503

Cc1c(C[SH](=O)=O)ccc(Br)c1C=NO

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
HPGD P15428 3/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL28008502 0.81 ERN1 (0.37)
SCHEMBL6665599 0.76 HTT (0.39) LMNAHPGDHSD17B10HTTALDH1A1
SCHEMBL6665602 0.76 HTT (0.39) LMNAHPGDHSD17B10HTTALDH1A1
SCHEMBL28008117 0.75
SCHEMBL27481523 0.70
SCHEMBL27684065 0.66 GABRA1 (0.40) ALDH1A1
SCHEMBL28008118 0.64
SCHEMBL701221 0.64 HPGD (0.35) LMNAHPGDHSD17B10HTTALDH1A1
SCHEMBL7234146 0.64 HPGD (0.35) LMNAHPGDHSD17B10HTTALDH1A1
SCHEMBL701220 0.64 HPGD (0.35) LMNAHPGDHSD17B10HTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104876920-A Isooxazole compounds and intermediates thereof, and preparation method and application thereof UNIV HENAN 2015-09-02 CN claimed
CN-104876920-A Isooxazole compounds and intermediates thereof, and preparation method and application thereof UNIV HENAN 2015-09-02 CN disclosed