SCHEMBL28019204

SCHEMBL28019204

COS(=O)(=O)c1ccc(-c2nc3ccccc3c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ DHODH Q02127 1/20 0.40
▸ TOP2B Q02880 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39

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
SCHEMBL28904749 0.83 KDM1A (0.53) —
SCHEMBL12682508 0.80 TSHR (0.47) ADORA2ATDP1LMNADHODHTSHR
SCHEMBL18533236 0.79 ADORA2A (0.41) ADORA2ATDP1KDM4EALDH1A1L3MBTL1
SCHEMBL15561039 0.76 LMNA (0.72) ADORA2ATDP1KDM4EALDH1A1L3MBTL1
SCHEMBL8761424 0.75 CA1 (0.54) ALDH1A1TSHR
SCHEMBL30537037 0.75 NUDT1 (0.61) ADORA2ATDP1KDM4EALDH1A1L3MBTL1
SCHEMBL729919 0.75 NUDT1 (0.61) ADORA2ATDP1KDM4EALDH1A1L3MBTL1
SCHEMBL18567245 0.74 PLA2G2A (0.46) ADORA2ATDP1KDM4EALDH1A1L3MBTL1
SCHEMBL15595212 0.74 TDP1 (0.69) ADORA2ATDP1KDM4EALDH1A1L3MBTL1
SCHEMBL12682497 0.73 NPBWR1 (0.48) TDP1TOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107602620-A Novel iridium base complex for ECL 霍夫曼-拉罗奇有限公司 2018-01-19 — — CN disclosed
CN-104718218-B Novel iridium basigamy compound for ECL 霍夫曼-拉罗奇有限公司 2017-10-24 — — CN disclosed
CN-104797587-B Novel iridium-based complexes for ECL 霍夫曼-拉罗奇有限公司 2017-10-10 — — CN disclosed
CN-104822696-A New iridium-based complexes for ECL ROCHE DIAGNOSTICS GMBH 2015-08-05 — — CN disclosed
CN-104797587-A Novel iridium-based complexes for ECL ROCHE DIAGNOSTICS GMBH 2015-07-22 — — CN disclosed
CN-104718218-A New iridium-based complexes for ECL ROCHE DIAGNOSTICS GMBH 2015-06-17 — — CN disclosed
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