SCHEMBL1744608

SCHEMBL1744608

O=C(c1ccccc1)N(Oc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
MAOA P21397 1/20 0.42
HSD11B1 P28845 2/20 0.41
LTA4H P09960 1/20 0.38
PPARD Q03181 1/20 0.38
GLI1 P08151 1/20 0.38
GLI2 P10070 1/20 0.38
MAPK14 Q16539 1/20 0.37
ESR1 P03372 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL1742890 0.91 MAPT (0.43) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL1745461 0.88 ESR1 (0.45) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL1742891 0.80 MAOA (0.40) SLC6A2SLC6A4SLC6A3MAPTMAOA
SCHEMBL1744461 0.75 HSD11B1 (0.42) MAPTHSD11B1DRD2DRD3
SCHEMBL2480796 0.75 BCL2 (0.45)
SCHEMBL1354825 0.72 TDP1 (0.50) CTNNB1WNT3ANPC1MAOALTA4H
SCHEMBL8602640 0.72 KMT2A (0.64) CTNNB1WNT3ANPC1MAPTRAB9A
SCHEMBL6236597 0.68 BCAT1 (0.51) NPC1MAPTRAB9AMAOA
SCHEMBL2535060 0.68 NPC1 (0.51) CTNNB1WNT3ANPC1MAPTRAB9A
SCHEMBL16741838 0.67 AKR1C3 (0.59) CTNNB1WNT3ANPC1MAPTRAB9A

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