SCHEMBL31489260

SCHEMBL31489260

CC(=O)C(c1ccc(F)cc1)n1ccc(F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
POLB P06746 1/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CYP19A1 P11511 2/20 0.32

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
SCHEMBL31489718 0.75 CYP17A1 (0.45) ALDH1A1KDM4ECYP19A1KCNK3
SCHEMBL31489694 0.74 ALDH1A1 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31489285 0.73 SMN1; SMN2 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31489647 0.72 POLB (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31489212 0.70 CYP26A1 (0.34) CYP19A1
SCHEMBL19437959 0.69 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3164969 0.66 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7821350 0.65 SRC (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL8842731 0.65 ALDH1A1 (0.51) POLBALDH1A1KDM4ELMNAMAPT
SCHEMBL531658 0.64 HDAC3 (0.45) 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 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