SCHEMBL1743799

SCHEMBL1743799

CC(C)(C)OC(=O)n1cc2c(O)cccc2n1.Oc1cccc2[nH]ncc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.38
METTL3 Q86U44 5/20 0.36
BRAF P15056 1/20 0.35
IDO1 P14902 2/20 0.35
AXL P30530 2/20 0.34
WEE1 P30291 1/20 0.34
PKMYT1 Q99640 1/20 0.34
NOS1 P29475 3/20 0.33
TRPV1 Q8NER1 3/20 0.33
TDO2 P48775 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
NR1H2 P55055 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
SCHEMBL1742673 0.87 BCHE (0.36)
SCHEMBL476817 0.74 STS (0.39) JAK2
SCHEMBL17631624 0.74 HDAC8 (0.39) NR1H2
Tert-Butyl Formate SCHEMBL27831645 0.73 IDO1 (0.46) DHPSIDO1AXLNOS1TRPV1
SCHEMBL13583956 0.72 GPR119 (0.36) NR1H2
SCHEMBL277055 0.71 NOS1 (0.59) DHPSBRAFIDO1AXLNOS1
Hydrochloric Acid SCHEMBL6647093 0.70 NOS1 (0.57) DHPSBRAFIDO1AXLNOS1
SCHEMBL3673763 0.69 TRPV1 (0.53) TRPV1
SCHEMBL6891951 0.69 MEN1 (0.43) NR1H2
SCHEMBL476868 0.67 USP30 (0.36) JAK2

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