SCHEMBL22069482

SCHEMBL22069482

COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCNC(C)=O)c(C)c3)nc2n1.COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCNc4nc(C)no4)c(C)c3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.54
▸ HDAC1 Q13547 11/20 0.54
▸ HDAC3 O15379 9/20 0.53
▸ HDAC4 P56524 9/20 0.53
▸ HDAC7 Q8WUI4 9/20 0.53
▸ HDAC2 Q92769 9/20 0.53
▸ HDAC10 Q969S8 9/20 0.53
▸ HDAC11 Q96DB2 9/20 0.53
▸ HDAC8 Q9BY41 9/20 0.53
▸ HDAC6 Q9UBN7 9/20 0.53
▸ HDAC9 Q9UKV0 9/20 0.53
▸ HDAC5 Q9UQL6 9/20 0.53
▸ PARP1 P09874 2/20 0.50
▸ IL17A Q16552 1/20 0.49
▸ BRD1 O95696 1/20 0.39
▸ BRD2 P25440 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
SCHEMBL121739 0.88 BRD4 (0.62) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL30434840 0.88 BRD4 (0.62) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL121574 0.84 BRD4 (0.51) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL30435329 0.84 BRD4 (0.51) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL30052713 0.84 BRD4 (0.72) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL148581 0.84 BRD4 (0.72) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL121626 0.78 BRD4 (0.67) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL30434474 0.78 BRD4 (0.67) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL18045266 0.78 BRD4 (0.72) BRD4HDAC1HDAC3HDAC4HDAC7
SCHEMBL120806 0.78 BRD4 (0.64) BRD4HDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 — — EP disclosed
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