SCHEMBL4617628

SCHEMBL4617628

Cc1ccc(S(=O)(=O)CCC(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.74
PAX8 Q06710 3/20 0.74
HSD11B1 P28845 5/20 0.55
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
P4HB P07237 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RECQL P46063 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL25128778 0.86 KMT2A (0.76) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL1951415 0.86 KMT2A (0.76) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL28825135 0.85 KMT2A (1.00) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL28825174 0.85 KMT2A (1.00) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL29275318 0.84 HSD11B1 (0.78) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL21541110 0.82 KMT2A (0.70) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL12264849 0.82 KMT2A (0.70) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL908478 0.81 PKM (0.75) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL20634038 0.80 KMT2A (0.67) KMT2APAX8HSD11B1ALDH1A1LMNA
SCHEMBL20633923 0.79 KMT2A (0.65) KMT2APAX8HSD11B1ALDH1A1LMNA

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-1893741-A1 CELL-BASED MICROARRAYS, AND METHODS FOR THEIR PREPARATION AND USE Beckman Coulter, Inc. (US) 2008-03-05 EP disclosed
WO-2007001817-A1 CELL-BASED MICROARRAYS, AND METHODS FOR THEIR PREPARATION AND USE BECKMAN COULTER, INC. (US) 2007-01-04 WO disclosed