SCHEMBL30052302

SCHEMBL30052302

COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCN4CCCC4)c(C)c3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 1.00
IL17A Q16552 1/20 1.00
HDAC1 Q13547 8/20 0.64
HDAC6 Q9UBN7 8/20 0.63
HDAC3 O15379 6/20 0.63
HDAC4 P56524 6/20 0.63
HDAC7 Q8WUI4 6/20 0.63
HDAC2 Q92769 6/20 0.63
HDAC10 Q969S8 6/20 0.63
HDAC11 Q96DB2 6/20 0.63
HDAC8 Q9BY41 6/20 0.63
HDAC9 Q9UKV0 6/20 0.63
HDAC5 Q9UQL6 6/20 0.63
PARP1 P09874 1/20 0.61

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
SCHEMBL347132 1.00 BRD4 (1.00) BRD4IL17AHDAC1HDAC6HDAC3
SCHEMBL378226 0.99 BRD4 (0.98) BRD4IL17AHDAC1HDAC6HDAC3
SCHEMBL378016 0.99 BRD4 (0.98) BRD4IL17AHDAC1HDAC6HDAC3
SCHEMBL377761 0.98 BRD4 (0.96) BRD4IL17AHDAC1HDAC6HDAC3
SCHEMBL377826 0.95 BRD4 (0.91) BRD4IL17AHDAC1HDAC6HDAC3
SCHEMBL377797 0.95 BRD4 (0.90) BRD4IL17AHDAC1HDAC6HDAC3
SCHEMBL377723 0.94 BRD4 (0.88) BRD4IL17AHDAC1HDAC6HDAC3
SCHEMBL349172 0.92 BRD4 (0.85) BRD4IL17AHDAC1HDAC6HDAC3
SCHEMBL30053181 0.92 BRD4 (0.85) BRD4IL17AHDAC1HDAC6HDAC3
SCHEMBL378069 0.90 BRD4 (0.81) BRD4IL17AHDAC1HDAC6HDAC3

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
CN-114984016-A Compositions and methods for treating complement-associated diseases 雷斯韦洛吉克斯公司 2022-09-02 CN claimed
CN-114984016-A Compositions and methods for treating complement-associated diseases 雷斯韦洛吉克斯公司 2022-09-02 CN disclosed