SCHEMBL30435329

SCHEMBL30435329

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.51
▸ HDAC1 Q13547 9/20 0.51
▸ HDAC2 Q92769 8/20 0.50
▸ HDAC6 Q9UBN7 8/20 0.50
▸ HDAC3 O15379 7/20 0.50
▸ HDAC10 Q969S8 7/20 0.50
▸ HDAC8 Q9BY41 7/20 0.50
▸ HDAC4 P56524 6/20 0.50
▸ HDAC7 Q8WUI4 6/20 0.50
▸ HDAC11 Q96DB2 6/20 0.50
▸ HDAC9 Q9UKV0 6/20 0.50
▸ HDAC5 Q9UQL6 6/20 0.50
▸ PARP1 P09874 1/20 0.47
▸ IL17A Q16552 1/20 0.46
▸ BRD2 P25440 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ MIF P14174 1/20 0.36

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
SCHEMBL121574 1.00 BRD4 (0.51) BRD4HDAC1HDAC2HDAC6HDAC3
SCHEMBL147454 0.87 BRD4 (0.56) BRD4HDAC1HDAC2HDAC6HDAC3
SCHEMBL121590 0.85 BRD4 (0.41) BRD4HDAC1HDAC2HDAC6HDAC3
SCHEMBL30434777 0.85 BRD4 (0.41) BRD4HDAC1HDAC2HDAC6HDAC3
SCHEMBL147081 0.84 BRD4 (0.50) BRD4HDAC1HDAC2HDAC6HDAC3
SCHEMBL378025 0.84 BRD4 (0.50) BRD4HDAC1HDAC2HDAC6HDAC3
SCHEMBL22069482 0.84 BRD4 (0.54) BRD4HDAC1HDAC2HDAC6HDAC3
SCHEMBL20656732 0.83 BRD4 (0.47) BRD4HDAC1HDAC2HDAC6HDAC3
SCHEMBL30052713 0.83 BRD4 (0.72) BRD4HDAC1HDAC2HDAC6HDAC3
SCHEMBL148581 0.83 BRD4 (0.72) BRD4HDAC1HDAC2HDAC6HDAC3

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
CN-107252429-B Novel anti-inflammatory agent 雷斯韦洛吉克斯公司 2023-06-16 — — CN disclosed
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