SCHEMBL8525239

SCHEMBL8525239

COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCN(C)S(=O)(=O)c1cn(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 7/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
P2RX3 P56373 2/20 0.33
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7452615 0.82 HDAC6 (0.50) TNFHDAC6HDAC3HDAC4HDAC1
SCHEMBL8524867 0.80 EGFR (0.40) TNFHDAC6
SCHEMBL2922474 0.80 TNF (0.54) TNFHDAC6HDAC3HDAC4HDAC1
SCHEMBL4381827 0.79 HDAC6 (0.51) TNFHDAC6HDAC3HDAC4HDAC1
SCHEMBL7210734 0.79 HDAC6 (0.53) TNFHDAC6HDAC3HDAC4HDAC1
SCHEMBL5562061 0.79 HDAC6 (0.55) TNFHDAC6HDAC3HDAC4HDAC1
SCHEMBL664005 0.79 HDAC6 (0.55) TNFHDAC6HDAC3HDAC4HDAC1
SCHEMBL7452317 0.78 TNF (0.45) TNFHDAC6HDAC3HDAC4HDAC1
SCHEMBL7211439 0.78 HDAC6 (0.46) TNFHDAC6HDAC3HDAC4HDAC1
SCHEMBL8585458 0.77 ENPP1 (0.53) MEN1KMT2A

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-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 WO disclosed