SCHEMBL1744461

SCHEMBL1744461

O=C(c1ccccc1)N(Oc1cccc2[nH]ccc12)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
MCL1 Q07820 1/20 0.39
PARP1 P09874 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR1A P08908 1/20 0.36
ROCK2 O75116 1/20 0.36
TNKS O95271 1/20 0.36
ROCK1 Q13464 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
RHEB Q15382 2/20 0.36

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
SCHEMBL1959692 0.76 L3MBTL1 (0.39) KMT2AMEN1
SCHEMBL1744608 0.75 SLC6A2 (0.46) HSD11B1DRD2DRD3MAPT
SCHEMBL1954915 0.75 BCL2 (0.43)
SCHEMBL2507853 0.75 ALDH3A1 (0.42)
SCHEMBL8995160 0.71 KMT2A (0.69) MCL1PARP1KMT2AHSD17B10ADRB2
SCHEMBL30514396 0.71 KMT2A (0.69) MCL1PARP1KMT2AHSD17B10ADRB2
SCHEMBL1745461 0.68 ESR1 (0.45) KMT2AMEN1MAPT
SCHEMBL1742890 0.68 MAPT (0.43) MCL1KMT2ADRD2DRD3MEN1
SCHEMBL2312464 0.67 RHEB (0.49) MCL1PARP1KMT2AHSD17B10ADRB2
SCHEMBL1137964 0.67 PTGER3 (0.56) MCL1PARP1ADRB2ADRB1ADRB3

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-2387560-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP disclosed
US-8042193-B1 Systems and methods for controlling data access by use of a universal anonymous identifier Albright Associates (US) 2011-10-18 US disclosed
WO-2010083441-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO disclosed