SCHEMBL29213984

SCHEMBL29213984

Cn1c(=O)ccc2ccc(S)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 16/20 0.57
▸ BRD9 Q9H8M2 5/20 0.57
▸ BRD4 O60885 4/20 0.57
▸ CA12 O43570 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ KAT2B Q92831 1/20 0.57
▸ BRD1 O95696 9/20 0.38
▸ BRPF3 Q9ULD4 5/20 0.38
▸ HSD17B10 Q99714 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL30873747 1.00 BRPF1 (0.57) BRPF1BRD9BRD4CA12CA9
SCHEMBL29213971 0.86 BRPF1 (0.62) BRPF1BRD9BRD4CA12CA9
SCHEMBL30873739 0.85 BRPF1 (0.46) BRPF1BRD9BRD4CA12CA9
SCHEMBL1119899 0.78 BRPF1 (0.59) BRPF1BRD9BRD4CA12CA9
SCHEMBL31743117 0.76 BRPF1 (0.57) BRPF1BRD9BRD4CA12CA9
SCHEMBL1948671 0.76 BRPF1 (0.57) BRPF1BRD9BRD4CA12CA9
SCHEMBL19231303 0.76 BRPF1 (0.57) BRPF1BRD9BRD4CA12CA9
SCHEMBL30538035 0.76 BRPF1 (0.57) BRPF1BRD9BRD4CA12CA9
SCHEMBL16932310 0.76 BRPF1 (0.57) BRPF1BRD9BRD4CA12CA9
SCHEMBL11743970 0.76 BRPF1 (0.76) BRPF1BRD9BRD4CA12CA9

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-117551057-A Benzo ring derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-02-13 — — CN disclosed
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