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Sugi Predict / Compounds / SCHEMBL16996340

SCHEMBL16996340

SCHEMBL16996340

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ MCL1 Q07820 1/20 0.31
▸ ACMSD Q8TDX5 1/20 0.31
▸ F9 P00740 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ PRKDC P78527 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL25533841 0.96 CA12 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL19152470 0.96 CA12 (0.33) CA12CA1CA2CA9MCL1
SCHEMBL16996015 0.94 CA12 (0.33) CA12CA1CA2CA9MCL1
SCHEMBL25533858 0.93 MCL1 (0.33) CA12CA1CA2CA9MCL1
SCHEMBL16996357 0.92 GPR3 (0.34) ALOX5
SCHEMBL17412249 0.92 GPR3 (0.34) ALOX5
SCHEMBL21261110 0.91 PDK2 (0.33) ALOX5
SCHEMBL20623269 0.91 — —
SCHEMBL16996342 0.91 S1PR4 (0.32) —
SCHEMBL23237206 0.90 MCL1 (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150228899-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 — — US disclosed
US-20150228899-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 — — US disclosed