SCHEMBL8524867

SCHEMBL8524867

COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCN(C)S(=O)(=O)CCCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.40
TNF P01375 4/20 0.40
KIT P10721 3/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AURKA O14965 3/20 0.40
AXL P30530 1/20 0.39
ROCK2 O75116 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
MAPT P10636 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
LTK P29376 1/20 0.39
TTK P33981 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAP2K1 Q02750 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
SCHEMBL6789011 0.89 TNF (0.48) EGFRTNFHDAC6AURKAROCK2
SCHEMBL2947219 0.81 EHMT2 (0.50) TNFHDAC6KDR
SCHEMBL4386072 0.81 TNF (0.49) EGFRTNFHDAC6SRCKDR
SCHEMBL8525239 0.80 TNF (0.44) TNFHDAC6
SCHEMBL5216513 0.80 HDAC6 (0.45) EGFRTNFKITHDAC6KDR
SCHEMBL7205402 0.79 HDAC6 (0.51) EGFRTNFHDAC6KDR
SCHEMBL8526204 0.79 EGFR (0.53) EGFRKITAURKAAXLLCK
SCHEMBL4381827 0.78 HDAC6 (0.51) TNFHDAC6ALDH1A1
SCHEMBL8525484 0.78 KDM1A (0.46) EGFRKITAURKAAXLSRC
SCHEMBL7452615 0.78 HDAC6 (0.50) TNFHDAC6ALDH1A1KDR

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