SCHEMBL17849645

SCHEMBL17849645

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5cc6c7c(ccc8cccc(c87)C6(C)C)c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.33
ENPP3 O14638 1/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 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
SCHEMBL15316836 0.94 CHRNB4 (0.32) ENPP1ENPP3CA12CA1CA2
SCHEMBL17849619 0.92
SCHEMBL17849644 0.92 PDK2 (0.33)
SCHEMBL17849618 0.92 PDK2 (0.33)
SCHEMBL17849642 0.92 PDK2 (0.34)
SCHEMBL17849612 0.91 PDK2 (0.30)
SCHEMBL14490043 0.89 CA12 (0.39) ENPP1ENPP3CA12CA1CA2
SCHEMBL24655259 0.89 CA12 (0.35) ENPP1ENPP3CA12CA1CA2
SCHEMBL24744975 0.89 MCL1 (0.32) ENPP1ENPP3CA12CA1CA2
SCHEMBL17849631 0.88 PDK2 (0.32)

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
US-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed
US-9371270-B2 Compound for organic light-emitting device and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed