SCHEMBL6936002

SCHEMBL6936002

NC(=O)CN1c2ccccc2SC1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.41
▸ ACHE P22303 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.38
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NOX1 Q9Y5S8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL6933782 0.82 LMNA (0.45) BCHEPOLBLMNASMN1; SMN2
SCHEMBL31571120 0.76 ALDH1A1 (0.37) BCHEPOLBPPARGALDH1A1SMN1; SMN2
SCHEMBL9305366 0.76 ALDH1A1 (0.37) BCHEPOLBPPARGALDH1A1SMN1; SMN2
SCHEMBL9359079 0.73 GSK3B (0.44) BCHEACHESIGMAR1MEN1KMT2A
SCHEMBL9569380 0.71 GSK3B (0.34) BCHEACHESIGMAR1MEN1KMT2A
SCHEMBL9358633 0.71 HRH3 (0.39) BCHEACHESIGMAR1CYP2C19ALDH1A1
SCHEMBL10588421 0.71 MEN1 (0.52) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL8834714 0.70 CACNA1C (0.40) BCHEACHEMEN1KMT2APOLB
SCHEMBL6070112 0.70 KMT2A (0.38) BCHEACHEMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL11035453 0.70 TSHR (0.39) SIGMAR1MEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101084235-A 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS INC (US) 2007-12-05 — — CN claimed
EP-0808163-B1 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC (US) 2003-07-23 — — EP claimed
US-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 — — US claimed
US-6007865-A FOR INHIBITING AND REVERSING NONENZYMATIC CROSS-LINKING (PROTEIN AGING), TREATING KIDNEY DAMAGE AND TREATING COMPLICATIONS OF DIABETES, PREVENTING FOOD SPOILAGE ALTEON INC. 1999-12-28 — — US claimed
CN-101084235-A 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS INC (US) 2007-12-05 — — CN disclosed
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