SCHEMBL16955577

SCHEMBL16955577

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.41
▸ TXNRD3 Q86VQ6 1/20 0.41
▸ TXNRD2 Q9NNW7 1/20 0.41
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ PDE7B Q9NP56 1/20 0.35
▸ CCR2 P41597 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ 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
SCHEMBL31585223 0.85 TXNRD1 (0.42) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL16959492 0.84 ALDH1A1 (0.42) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL16957224 0.82 ADRB2 (0.40) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL16959578 0.78 TSHR (0.53) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL16956434 0.77 PDK1 (0.51) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL16956870 0.77 PARP1 (0.46) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL16957062 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL16950945 0.77 VCAM1 (0.53) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL16950918 0.77 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL16950944 0.76 TXNRD1 (0.46) TXNRD1TXNRD3TXNRD2MEN1KMT2A

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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