SCHEMBL6003070

SCHEMBL6003070

Ic1cccc(-c2ccccc2I)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
PDE4A P27815 2/20 0.37
GALR1 P47211 1/20 0.35
IDO1 P14902 2/20 0.32
APP P05067 3/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
HTR7 P34969 2/20 0.32
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
BACE1 P56817 1/20 0.31
ASH1L Q9NR48 1/20 0.31
F10 P00742 1/20 0.30

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
SCHEMBL21149111 0.96 METAP2 (0.42) METAP2CHRNB4CHRNA3PDE4AGALR1
Sulfur Dioxide SCHEMBL21462914 0.92 METAP2 (0.40) METAP2CHRNB4CHRNA3PDE4AGALR1
SCHEMBL20698262 0.88 KMO (0.37) APPHTR7BACE1ASH1L
SCHEMBL1032858 0.88 METAP2 (0.44) METAP2CHRNB4CHRNA3PDE4AGALR1
SCHEMBL19607480 0.84 BACE1 (0.42) METAP2CHRNB4CHRNA3PDE4AGALR1
SCHEMBL29993458 0.82 KMO (0.47) MGLL
SCHEMBL2562920 0.82 KMO (0.47) MGLL
SCHEMBL7714897 0.82 BACE1 (0.41) METAP2CHRNB4CHRNA3PDE4AGALR1
Iodobenzene SCHEMBL10487194 0.81 ALDH1A1 (0.42) BACE1
SCHEMBL23174276 0.78 ALDH1A1 (0.58) METAP2CHRNB4CHRNA3PDE4AIDO1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763750-B1 POLYMER, MONOMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2023-07-19 EP disclosed
US-20220085313-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-03-17 US disclosed
WO-2019215179-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2019-11-14 WO disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed