SCHEMBL30434636

SCHEMBL30434636

COCOc1c(C)cc(-c2nc3cc(F)cc(OC)c3c(=O)[nH]2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.55
IL17A Q16552 1/20 0.55
HDAC1 Q13547 10/20 0.54
HDAC3 O15379 8/20 0.53
HDAC4 P56524 8/20 0.53
HDAC7 Q8WUI4 8/20 0.53
HDAC2 Q92769 8/20 0.53
HDAC10 Q969S8 8/20 0.53
HDAC11 Q96DB2 8/20 0.53
HDAC8 Q9BY41 8/20 0.53
HDAC6 Q9UBN7 8/20 0.53
HDAC9 Q9UKV0 8/20 0.53
HDAC5 Q9UQL6 8/20 0.53
PARP1 P09874 1/20 0.51

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
SCHEMBL148816 1.00 BRD4 (0.55) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL30434624 0.89 BRD4 (0.46) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL146531 0.89 BRD4 (0.46) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL143261 0.88 BRD4 (0.66) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL30434741 0.88 BRD4 (0.66) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL146525 0.85 BRD4 (0.57) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL30434806 0.85 BRD4 (0.57) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL15551676 0.84 BRD4 (0.54) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL378097 0.82 BRD4 (0.50) BRD4IL17AHDAC1HDAC3HDAC4
SCHEMBL347354 0.79 BRD4 (0.74) BRD4IL17AHDAC1HDAC3HDAC4

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