SCHEMBL6935140

SCHEMBL6935140

O=C(C[n+]1ccsc1)c1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.50
KMT2A Q03164 4/20 0.48
RECQL P46063 1/20 0.47
GSK3B P49841 2/20 0.46
MEN1 O00255 2/20 0.44
AHR P35869 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
Bromide SCHEMBL2947796 0.98 ALDH1A1 (0.72) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL14008410 0.84 ALDH1A1 (0.69) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL6936032 0.84 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AGSK3BMEN1
SCHEMBL7074123 0.84 ALDH1A1 (0.69) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL1444452 0.83 ALDH1A1 (0.97) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
Bromide SCHEMBL4939883 0.83 ALDH1A1 (0.72) ALDH1A1MAPTKMT2AMEN1PABPC1
Bromide SCHEMBL3849524 0.83 ALDH1A1 (0.72) ALDH1A1MAPTKMT2AGSK3BMEN1
Bromide SCHEMBL3847335 0.83 ALDH1A1 (0.72) ALDH1A1HTTMAPTKMT2AMEN1
Bromide SCHEMBL122633 0.82 ALDH1A1 (1.00) ALDH1A1MAPTKMT2ARECQLMEN1
Hydrochloric Acid SCHEMBL2776368 0.82 ALDH1A1 (0.94) ALDH1A1HTTSMN1; SMN2MAPTKMT2A

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
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