SCHEMBL16957224

SCHEMBL16957224

[CH2]C(CO)c1ccc(SC)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CA2 P00918 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.37
▸ TXNRD3 Q86VQ6 1/20 0.37
▸ TXNRD2 Q9NNW7 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GSTP1 P09211 1/20 0.34
▸ GSTM2 P28161 1/20 0.34

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
SCHEMBL16955577 0.82 TXNRD1 (0.41) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16951898 0.81 TSHR (0.47) ADRB2MAPTALDH1A1MEN1KMT2A
SCHEMBL16959492 0.79 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2ACA2
SCHEMBL16951612 0.79 PDK1 (0.50) ADRB2MAPTALDH1A1MEN1KMT2A
SCHEMBL16957710 0.78 PDK1 (0.49) ADRB2MAPTALDH1A1MEN1KMT2A
SCHEMBL16952092 0.78 VCAM1 (0.49) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL16951813 0.78 ALDH1A1 (0.44) ADRB2MAPTALDH1A1MEN1KMT2A
SCHEMBL16955143 0.78 ALDH1A1 (0.49) ADRB2MAPTALDH1A1MEN1KMT2A
SCHEMBL16961386 0.78 PARP1 (0.46) ADRB2MAPTALDH1A1MEN1KMT2A
SCHEMBL16959138 0.78 TSHR (0.47) ADRB2MAPTALDH1A1MEN1KMT2A

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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