SCHEMBL6935010

SCHEMBL6935010

CC1=C(CCO)SCN1CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 2/20 0.40
CXCR3 P49682 2/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGAM O43451 1/20 0.38
AMY1A P0DUB6 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38

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 SCHEMBL3957516 0.99 RAB9A (0.45) RAB9AKMT2ALMNAMEN1TP53
SCHEMBL6939128 0.87 ALDH1A1 (0.44) RAB9AKMT2ALMNAMEN1MAPK1
SCHEMBL6937918 0.87 ALDH1A1 (0.41) RAB9AKMT2ALMNAMEN1SMN1; SMN2
Bromide SCHEMBL2946957 0.86 MAPT (0.45) RAB9AKMT2ALMNAMEN1MAPK1
Bromide SCHEMBL2947505 0.86 ALDH1A1 (0.43) RAB9AKMT2ALMNAMEN1TP53
SCHEMBL6935377 0.85 ALDH1A1 (0.52) RAB9AKMT2ALMNAMEN1GSK3B
SCHEMBL3849473 0.84 ALDH1A1 (0.43) KMT2ALMNAMEN1MAPK1SMN1; SMN2
Bromide SCHEMBL3964323 0.84 ALDH1A1 (0.54) RAB9AKMT2ALMNAMEN1GSK3B
Bromide SCHEMBL3850356 0.82 MAPT (0.37) RAB9AKMT2ALMNAMEN1MAPK1
Bromide SCHEMBL3853609 0.81 THRA (0.45) RAB9AKMT2ALMNAMEN1SMN1; SMN2

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