SCHEMBL29453916

SCHEMBL29453916

c1ccc(N(c2ccc(-c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ PPARG P37231 9/20 0.44
▸ PPARA Q07869 9/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ ACMSD Q8TDX5 1/20 0.44
▸ ENPP3 O14638 1/20 0.44
▸ ENPP1 P22413 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ TNF P01375 1/20 0.43
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42

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
SCHEMBL16385594 1.00 CA12 (0.47) CA12CA1CA2CA9HDAC8
SCHEMBL3661216 0.98 CA12 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL21040955 0.98 CA12 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL2777240 0.98 CA12 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL14490047 0.96 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL14270741 0.96 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL13848231 0.96 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL7591547 0.96 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL20313421 0.96 CA12 (0.47) CA12CA1CA2CA9HDAC8
SCHEMBL14490059 0.96 CA12 (0.51) CA12CA1CA2CA9HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3282496-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2023-04-26 — — EP disclosed
EP-3671885-B1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2023-03-01 — — EP disclosed
EP-3229284-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2022-08-31 — — EP disclosed
EP-3176845-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2022-03-16 — — EP disclosed
EP-3244464-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2022-02-23 — — EP disclosed
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