SCHEMBL21541874

SCHEMBL21541874

CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5s4)n3)cc2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 8/20 0.55
▸ LPL P06858 7/20 0.55
▸ SNCA P37840 1/20 0.43
▸ APP P05067 2/20 0.43
▸ PDGFRB P09619 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ S1PR1 P21453 1/20 0.38
▸ P4HB P07237 1/20 0.38
▸ HDAC2 Q92769 1/20 0.37
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 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
SCHEMBL29631781 0.86 LIPG (0.60) LIPGLPLSNCAAPPPDGFRB
SCHEMBL15481254 0.86 LIPG (0.60) LIPGLPLSNCAAPPPDGFRB
SCHEMBL12424884 0.84 LIPG (0.77) LIPGLPLSNCAP4HBDGAT1
SCHEMBL17511943 0.83 LIPG (0.80) LIPGLPLSNCAP4HBDGAT1
SCHEMBL22639304 0.83 LIPG (0.80) LIPGLPLSNCAP4HBDGAT1
SCHEMBL23327826 0.83 LIPG (0.80) LIPGLPLSNCAP4HBDGAT1
SCHEMBL18979916 0.83 LIPG (0.80) LIPGLPLSNCAP4HBDGAT1
SCHEMBL23082128 0.83 LIPG (0.80) LIPGLPLSNCAP4HBDGAT1
SCHEMBL23327902 0.83 LIPG (0.80) LIPGLPLSNCAP4HBDGAT1
SCHEMBL20995884 0.83 LIPG (0.80) LIPGLPLSNCAP4HBDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790875-B1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2024-07-03 — — EP disclosed
EP-3790875-B1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2024-07-03 — — EP disclosed
EP-3567039-B1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2024-05-08 — — EP disclosed
EP-3790875-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES Novaled GmbH (DE) 2021-03-17 — — EP disclosed
CN-112135822-A N-heteroarylidenes with low LUMO energy 诺瓦尔德股份有限公司 2020-12-25 — — CN disclosed
WO-2019215179-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2019-11-14 — — WO disclosed
WO-2019215179-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2019-11-14 — — WO disclosed
EP-3567039-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES Novaled GmbH (DE) 2019-11-13 — — EP disclosed
EP-3567039-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES Novaled GmbH (DE) 2019-11-13 — — EP disclosed
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