SCHEMBL17209208

SCHEMBL17209208

CC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4c4cc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)ccc43)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ ALK Q9UM73 1/20 0.37
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ PPARG P37231 5/20 0.32
▸ PPARA Q07869 5/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL17209210 1.00 CA12 (0.38) CA12CA1CA2CA9ALK
SCHEMBL23370376 0.96 CA12 (0.34) CA12CA1CA2CA9ALK
SCHEMBL17209175 0.95 CA12 (0.38) CA12CA1CA2CA9ALK
SCHEMBL17209277 0.95 NTSR1 (0.35) CA12CA1CA2CA9ALK
SCHEMBL17209170 0.94 CA12 (0.39) CA12CA1CA2CA9ALK
SCHEMBL17209187 0.94 CA12 (0.39) CA12CA1CA2CA9ALK
SCHEMBL17209191 0.94 CA12 (0.39) CA12CA1CA2CA9ALK
SCHEMBL17209163 0.94 CA12 (0.39) CA12CA1CA2CA9ALK
SCHEMBL18963080 0.93 CA12 (0.35) CA12CA1CA2CA9ALK
SCHEMBL23370591 0.93 ALK (0.33) CA12CA1CA2CA9ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016043394-A1 LIGHT EMITTING DIODE AND ELECTRONIC DEVICE COMPRISING SAME 주식회사 엘엠에스 2016-03-24 — — WO disclosed
WO-2015163584-A1 NOVEL COMPOUND AND LIGHT EMITTING ELEMENT COMPRISING SAME 주식회사 엘엠에스 2015-10-29 — — WO disclosed
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