SCHEMBL17209176

SCHEMBL17209176

c1ccc(C2(c3ccccc3)c3cc(-c4cccc5ccccc45)ccc3-c3ccc(-n4c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5c5cc(-c6ccc(-c7cccc8ccccc78)cc6)ccc54)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ NTSR1 P30989 2/20 0.33
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ TLR4 O00206 1/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNG P07510 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31

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
SCHEMBL17209269 1.00 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL17209248 0.98 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL17209142 0.98 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL17209301 0.98 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL17209284 0.98 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL17209215 0.98 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL17209238 0.98 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL17209189 0.98 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL17209251 0.98 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL17209198 0.98 CA12 (0.36) CA12CA1CA2CA9MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015163584-A1 NOVEL COMPOUND AND LIGHT EMITTING ELEMENT COMPRISING SAME 주식회사 엘엠에스 2015-10-29 — — WO disclosed
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