SCHEMBL30338244

SCHEMBL30338244

O=[N+]([O-])c1ccccc1Sc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 4/20 0.65
▸ PDE7B Q9NP56 1/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ MAPT P10636 7/20 0.58
▸ GSTP1 P09211 1/20 0.55
▸ GSTM2 P28161 1/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ HTT P42858 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ GAA P10253 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ LDHB P07195 1/20 0.47

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
SCHEMBL1713219 1.00 PDE7A (0.65) PDE7APDE7BSMN1; SMN2MAPTGSTP1
Acetic Acid SCHEMBL8213274 0.91 MAPT (0.67) PDE7APDE7BSMN1; SMN2MAPTGSTP1
SCHEMBL9709555 0.89 PDE7A (0.58) PDE7APDE7BSMN1; SMN2MAPTGSTP1
SCHEMBL31272173 0.87 PDE7A (0.78) PDE7APDE7BSMN1; SMN2MAPTMEN1
SCHEMBL875772 0.87 PDE7A (0.78) PDE7APDE7BSMN1; SMN2MAPTMEN1
SCHEMBL641092 0.85 PDE7A (0.63) PDE7APDE7BSMN1; SMN2MAPTGSTP1
SCHEMBL3506549 0.85 PDE7A (0.56) PDE7APDE7BSMN1; SMN2MAPTGSTP1
SCHEMBL7665295 0.85 PDE7A (0.67) PDE7APDE7BSMN1; SMN2MEN1KMT2A
SCHEMBL11760310 0.85 PDE7A (0.56) PDE7APDE7BSMN1; SMN2MAPTGSTP1
SCHEMBL8881808 0.85 MAPT (0.58) PDE7APDE7BSMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148321-A1 3D MICROFLUIDIC DEVICE AND METHOD OF SEPARATING PARTICLES BY SIZE FROM A SUSPENSION UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-11 — — WO disclosed
WO-2024015316-A1 COATED FLEXIBLE ARTICLES WITH ANTI-ICING SURFACE PHAZEBREAK COATINGS, INC. (US) 2024-01-18 — — WO disclosed
CN-115894314-A Preparation process of 2' -amino- (2,4-dimethyl) diphenyl sulfide 苏州敬业医药化工有限公司 2023-04-04 — — CN disclosed
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