SCHEMBL31489313

SCHEMBL31489313

COC(=O)[C@H](Br)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
HTT P42858 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 4/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.39

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
SCHEMBL706814 1.00 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11598339 0.87 MEN1 (0.49) MAPTKMT2AGAAMEN1LMNA
SCHEMBL1564938 0.82 CYP1A2 (0.50) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL4776154 0.82 L3MBTL1 (0.45) ALDH1A1MAPTKMT2ALMNANPC1
SCHEMBL4013605 0.82 L3MBTL1 (0.46) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL8881032 0.82 ESR1 (0.54) ALDH1A1MAPTKMT2ALMNACA12
SCHEMBL1676908 0.81 MAPT (0.46) HTTALDH1A1MAPTKMT2AGAA
SCHEMBL378101 0.81 KMT2A (0.49) HTTALDH1A1KMT2AMEN1NPC1
SCHEMBL473478 0.81 L3MBTL1 (0.49) HDAC4HDAC7HDAC5ALDH1A1KMT2A
SCHEMBL1115068 0.81 CES2 (0.40) HDAC4HDAC7HDAC5TSHRKMT2A

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
WO-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed