SCHEMBL6535502

SCHEMBL6535502

Cc1sc[n+](CC(=O)c2c(O)cccc2O)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
THRB P10828 1/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ACHE P22303 3/20 0.34
SGMS1 Q86VZ5 3/20 0.34
SGMS2 Q8NHU3 3/20 0.34
POLB P06746 2/20 0.34
PLA2G1B P04054 1/20 0.33

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
SCHEMBL3846298 0.84 KMT2A (0.52) KMT2ACA12CA1CA2CA7
SCHEMBL6535177 0.84 KMT2A (0.55) KMT2ACA12CA1CA2CA7
Bromide SCHEMBL3850333 0.82 KMT2A (0.57) KMT2ACA12CA1CA2CA7
Bromide SCHEMBL3845852 0.74 KMT2A (0.54) KMT2ACA12CA1CA2CA7
Bromide SCHEMBL8076842 0.71 KMT2A (0.54) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL6766613 0.71 SLC9A1 (0.47) KMT2AMAPTPOLBNPSR1
Hydrochloric Acid SCHEMBL3851286 0.68 KMT2A (0.50) KMT2ACA12CA9MAPTMEN1
Bromide SCHEMBL3847295 0.67 KMT2A (0.52) KMT2AOPRM1OPRD1
SCHEMBL2989475 0.65 MEN1 (0.61) KMT2ACA12CA1CA2CA7
SCHEMBL4181492 0.62 ALDH1A1 (0.72) KMT2ACA12CA1CA2CA7

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-1257272-A4 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2004-12-15 EP disclosed
EP-1257272-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-11-20 EP disclosed
WO-2001062250-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-08-30 WO disclosed