SCHEMBL1744606

SCHEMBL1744606

O=C(NS(=O)(=O)c1ccccc1)c1ccccc1Oc1ccc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 4/20 0.50
LGALS3 P17931 3/20 0.50
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.44
BCL2L1 Q07817 2/20 0.42
MCL1 Q07820 2/20 0.42
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
SCN9A Q15858 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
BCAT1 P54687 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL1742888 0.91 KAT6A (0.48) LGALS8LGALS3BCL2L1MCL1SCN9A
SCHEMBL1745458 0.88 BRAF (0.46)
SCHEMBL30752404 0.81 CTNNB1 (0.48) KDM4ESCN8ASCN10ANPC1MAPT
SCHEMBL4115298 0.81 CTNNB1 (0.48) KDM4ESCN8ASCN10ANPC1MAPT
SCHEMBL1742889 0.79 GPBAR1 (0.44) LGALS8LGALS3SCN9AGPBAR1PTGER3
SCHEMBL1744460 0.79 SCN9A (0.50) KDM4EHPGDBCL2L1MCL1SCN9A
SCHEMBL30313809 0.78 BCL2 (0.58)
SCHEMBL1958280 0.78 CTNNB1 (0.55) KDM4ESCN8ASCN10ANPC1MAPT
SCHEMBL30313850 0.78 BCL2 (0.58)
SCHEMBL2730313 0.76 BCL2 (0.60)

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