SCHEMBL30434741

SCHEMBL30434741

COc1cc(F)cc2nc(-c3cc(C)c(OCCO)c(C)c3)[nH]c(=O)c12

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.66
HDAC1 Q13547 9/20 0.60
IL17A Q16552 1/20 0.59
HDAC3 O15379 7/20 0.59
HDAC4 P56524 7/20 0.59
HDAC7 Q8WUI4 7/20 0.59
HDAC2 Q92769 7/20 0.59
HDAC10 Q969S8 7/20 0.59
HDAC11 Q96DB2 7/20 0.59
HDAC8 Q9BY41 7/20 0.59
HDAC6 Q9UBN7 7/20 0.59
HDAC9 Q9UKV0 7/20 0.59
HDAC5 Q9UQL6 7/20 0.59
PARP1 P09874 2/20 0.57
BRD1 O95696 1/20 0.42
BRD2 P25440 1/20 0.42

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
SCHEMBL143261 1.00 BRD4 (0.66) BRD4HDAC1IL17AHDAC3HDAC4
SCHEMBL25694623 0.89 BRD4 (0.69) BRD4HDAC1IL17AHDAC3HDAC4
SCHEMBL30434636 0.88 BRD4 (0.55) BRD4HDAC1IL17AHDAC3HDAC4
SCHEMBL148816 0.88 BRD4 (0.55) BRD4HDAC1IL17AHDAC3HDAC4
Apabetalone SCHEMBL29352238 0.88 BRD4 (0.84) BRD4HDAC1IL17AHDAC3HDAC4
Apabetalone SCHEMBL145019 0.88 BRD4 (0.84) BRD4HDAC1IL17AHDAC3HDAC4
SCHEMBL30434094 0.88 BRD4 (0.53) BRD4HDAC1IL17AHDAC3HDAC4
SCHEMBL121567 0.88 BRD4 (0.53) BRD4HDAC1IL17AHDAC3HDAC4
SCHEMBL377925 0.84 BRD4 (0.77) BRD4HDAC1IL17AHDAC3HDAC4
SCHEMBL149925 0.84 BRD4 (0.61) BRD4HDAC1IL17AHDAC3HDAC4

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