SCHEMBL6689435

SCHEMBL6689435

CC(C)(C)c1cc(C=C2C(=O)Nc3c(Br)cccc32)cc(C(C)(C)C)c1O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.67
EGFR P00533 2/20 0.67
IGF1R P08069 1/20 0.67
CTRC Q99895 1/20 0.61
RAF1 P04049 1/20 0.51
SIRT1 Q96EB6 3/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
PTGS2 P35354 4/20 0.49
PTGS1 P23219 3/20 0.49
EEF2K O00418 1/20 0.49
SRC P12931 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL7318426 0.87 ERBB2 (0.68) ERBB2EGFRIGF1RCTRCSIRT1
SCHEMBL7318433 0.87 ERBB2 (0.68) ERBB2EGFRIGF1RCTRCSIRT1
SCHEMBL6685283 0.85 RAF1 (0.69) EGFRRAF1SIRT1SIRT2SIRT3
SCHEMBL5363945 0.84 ERBB2 (0.58) ERBB2EGFRIGF1RCTRCSIRT1
SCHEMBL6686685 0.84 RAF1 (0.54) ERBB2EGFRIGF1RRAF1SIRT1
SCHEMBL6697120 0.84 RAF1 (0.54) ERBB2EGFRIGF1RRAF1SIRT1
SCHEMBL7310707 0.84 ERBB2 (0.64) ERBB2EGFRIGF1RCTRCRAF1
SCHEMBL7310712 0.84 ERBB2 (0.64) ERBB2EGFRIGF1RCTRCRAF1
SCHEMBL1394682 0.81 SIRT1 (0.62) EGFRRAF1SIRT1SIRT2SIRT3
SCHEMBL1394680 0.81 SIRT1 (0.62) EGFRRAF1SIRT1SIRT2SIRT3

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-2004069998-A2 OXINDOLE DERIVATIVES AS ANTIMICROBIAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2004-08-19 WO disclosed