SCHEMBL6694978

SCHEMBL6694978

CC(C)(C)c1cc(C=C2C(=O)Nc3ccc(Br)cc32)cc(C(C)(C)C)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.72
EGFR P00533 3/20 0.72
IGF1R P08069 1/20 0.72
MAP1LC3B Q9GZQ8 3/20 0.67
PLK4 O00444 4/20 0.62
PLK1 P53350 2/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CTRC Q99895 1/20 0.57
RAF1 P04049 4/20 0.55
LRRK2 Q5S007 3/20 0.55
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
NTRK1 P04629 1/20 0.55
ARAF P10398 1/20 0.55
PIM1 P11309 1/20 0.55

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
SCHEMBL6688476 0.90 ERBB2 (0.72) ERBB2EGFRIGF1RMAP1LC3BPLK4
SCHEMBL7319107 0.86 ERBB2 (0.73) ERBB2EGFRIGF1RMAP1LC3BPLK4
SCHEMBL7319104 0.86 ERBB2 (0.73) ERBB2EGFRIGF1RMAP1LC3BPLK4
SCHEMBL5468784 0.85 LRRK2 (0.72) ERBB2EGFRIGF1RCTRCLRRK2
SCHEMBL5468785 0.85 LRRK2 (0.72) ERBB2EGFRIGF1RCTRCLRRK2
SCHEMBL1394846 0.84 MAP1LC3B (0.71) EGFRMAP1LC3BPLK4PLK1MEN1
SCHEMBL1394844 0.84 MAP1LC3B (0.71) EGFRMAP1LC3BPLK4PLK1MEN1
SCHEMBL6687017 0.84 LRRK2 (0.73) EGFRMAP1LC3BPLK4PLK1MEN1
SCHEMBL5472251 0.84 ERBB2 (1.00) ERBB2EGFRIGF1RPLK4PLK1
SCHEMBL5472252 0.84 ERBB2 (1.00) ERBB2EGFRIGF1RPLK4PLK1

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