SCHEMBL31095481

SCHEMBL31095481

O=C(O)c1cc2ccc(Br)c(F)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
GPR35 Q9HC97 3/20 0.43
BCL2L1 Q07817 1/20 0.42
PTPN2 P17706 2/20 0.41
DAO P14920 2/20 0.39
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL17842958 0.84 HDAC1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17843065 0.83 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30640485 0.80 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26621964 0.80 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20563452 0.80 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17842789 0.80 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17858477 0.80 CHRNA7 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17858573 0.78 CHRNA7 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22366872 0.78 MAPT (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31550222 0.76 SLC22A12 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680247-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF Insmed Incorporated (US) 2026-01-21 EP disclosed
WO-2024192416-A1 DPP1 INHIBITORS WITH POLYCYCLIC LINKERS AND USES THEREOF INSMED INCORPORATED (US) 2024-09-19 WO disclosed