SCHEMBL6935377

SCHEMBL6935377

COc1ccc(C(=O)CN2CSC(CCO)=C2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 4/20 0.48
KDM4E B2RXH2 2/20 0.48
GSK3B P49841 1/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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 SCHEMBL3964323 0.99 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EGSK3BMAPT
SCHEMBL6103661 0.86 CA12 (0.46) ALDH1A1KDM4EMAPTNPC1RAB9A
Bromide SCHEMBL3846883 0.85 CA12 (0.45) ALDH1A1LMNAKDM4EMAPTNPC1
SCHEMBL6939128 0.85 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EGSK3BMAPT
SCHEMBL6935010 0.85 RAB9A (0.43) ALDH1A1LMNAKDM4EGSK3BMAPT
SCHEMBL6937918 0.85 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EGSK3BMAPT
Bromide SCHEMBL3957516 0.84 RAB9A (0.45) ALDH1A1LMNAKDM4EGSK3BMAPT
Bromide SCHEMBL2946957 0.84 MAPT (0.45) ALDH1A1LMNAKDM4EGSK3BMAPT
Bromide SCHEMBL2947505 0.84 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EGSK3BMAPT
Bromide SCHEMBL3845606 0.82 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EGSK3BMAPT

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 2 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