SCHEMBL6935144

SCHEMBL6935144

O=C(CN1C=CSC1)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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 SCHEMBL2947798 0.98 RAB9A (0.46) GSK3BALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL6936037 0.84 GSK3B (0.44) GSK3BALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL7074124 0.84 NPC1 (0.43) ALDH1A1RAB9ASMN1; SMN2HTTGAA
Bromide SCHEMBL4114709 0.83 RAB9A (0.46) GSK3BALDH1A1RAB9AMAPTSMN1; SMN2
Bromide SCHEMBL3847336 0.83 NPC1 (0.42) ALDH1A1RAB9ASMN1; SMN2HTTGAA
Hydrochloric Acid SCHEMBL4019649 0.83 ALDH1A1 (0.43) GSK3BALDH1A1RAB9AMAPTSMN1; SMN2
Bromide SCHEMBL122634 0.83 ALDH1A1 (0.43) GSK3BALDH1A1RAB9AMAPTSMN1; SMN2
Bromide SCHEMBL7402289 0.83 ALDH1A1 (0.43) GSK3BALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL8390047 0.81 ALDH1A1 (0.52) GSK3BALDH1A1RAB9AMAPTHTT
Bromide SCHEMBL3853720 0.80 ALDH1A1 (0.55) GSK3BALDH1A1RAB9AMAPTHTT

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