SCHEMBL6936037

SCHEMBL6936037

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
HTT P42858 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
NPC1 O15118 1/20 0.40
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39

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 SCHEMBL4114709 0.98 RAB9A (0.46) GSK3BRAB9AALDH1A1MAPTTP53
SCHEMBL7074124 0.84 NPC1 (0.43) RAB9AALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL6935144 0.84 GSK3B (0.44) GSK3BRAB9AALDH1A1MAPTSMN1; SMN2
Bromide SCHEMBL2947798 0.83 RAB9A (0.46) GSK3BRAB9AALDH1A1MAPTSMN1; SMN2
Bromide SCHEMBL3847336 0.83 NPC1 (0.42) RAB9AALDH1A1SMN1; SMN2HTTNPC1
Bromide SCHEMBL122634 0.83 ALDH1A1 (0.43) GSK3BRAB9AALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4019649 0.83 ALDH1A1 (0.43) GSK3BRAB9AALDH1A1MAPTSMN1; SMN2
Bromide SCHEMBL7402289 0.83 ALDH1A1 (0.43) GSK3BRAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8390047 0.81 ALDH1A1 (0.52) GSK3BRAB9AALDH1A1MAPTHTT
SCHEMBL12220178 0.78 GSK3B (0.52) GSK3BRAB9AALDH1A1MAPTTP53

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