SCHEMBL7205402

SCHEMBL7205402

COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.51
TNF P01375 3/20 0.50
EHMT2 Q96KQ7 7/20 0.45
EHMT1 Q9H9B1 7/20 0.45
MCHR1 Q99705 5/20 0.45
EGFR P00533 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL2947219 0.95 EHMT2 (0.50) HDAC6TNFEHMT2EHMT1KDR
Hydrochloric Acid SCHEMBL6030719 0.90 HDAC6 (0.51) HDAC6TNFEHMT2EHMT1KDR
SCHEMBL4386072 0.89 TNF (0.49) HDAC6TNFEHMT2EHMT1EGFR
SCHEMBL5217336 0.89 HDAC6 (0.47) HDAC6TNFEHMT2EGFRKDR
SCHEMBL6789011 0.88 TNF (0.48) HDAC6TNFEGFRKDR
SCHEMBL5216522 0.86 FGFR2 (0.48) HDAC6TNFEGFR
SCHEMBL664005 0.85 HDAC6 (0.55) HDAC6TNF
SCHEMBL5562061 0.85 HDAC6 (0.55) HDAC6TNF
SCHEMBL4371036 0.85 HDAC6 (0.49) HDAC6TNFEGFRKDR
SCHEMBL5220322 0.85 FGFR2 (0.49) HDAC6TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912557-B1 OXINDOLE DERIVATIVES ASTRAZENECA AB (SE) 2003-07-09 EP disclosed
US-6265411-B1 ANGIOGENESIS INHIBITOR ZENECA LIMITED (GB) 2001-07-24 US disclosed
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