SCHEMBL6535615

SCHEMBL6535615

Cc1sc[n+](CC(=O)c2cc(O)ccc2O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA7 P43166 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
PTGS2 P35354 2/20 0.40
ALOX5 P09917 1/20 0.40
CHRNA7 P36544 3/20 0.39
POLB P06746 2/20 0.36
HSP90AB1 P08238 1/20 0.36
NAAA Q02083 1/20 0.35
MEN1 O00255 3/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
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
Bromide SCHEMBL3845852 0.99 KMT2A (0.54) KMT2ACA12CA1CA2CA7
Bromide SCHEMBL3845868 0.88 KMT2A (0.54) KMT2ACA12CA1CA2CA7
SCHEMBL6535177 0.83 KMT2A (0.55) KMT2ACA12CA1CA2CA7
Bromide SCHEMBL3850333 0.82 KMT2A (0.57) KMT2ACA12CA1CA2CA7
SCHEMBL6535467 0.80 KMT2A (0.74) KMT2APOLBMEN1RAB9ANPC1
Bromide SCHEMBL3845600 0.78 KMT2A (0.76) KMT2APOLBMEN1RAB9ANPC1
Bromide SCHEMBL5004646 0.78 KMT2A (0.76) KMT2APOLBMEN1RAB9ANPC1
Hydrochloric Acid SCHEMBL3846894 0.78 KMT2A (0.63) KMT2ACA12CA1CA2CA7
SCHEMBL3846298 0.78 KMT2A (0.52) KMT2ACA12CA1CA2CA7
SCHEMBL6535048 0.78 KMT2A (0.59) KMT2ACA12CA1CA2CA9

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