Hemibastadin 2

Hemibastadin 2

SCHEMBL6803113

O=C(NCCc1ccc(O)c(Br)c1)/C(Cc1cc(Br)c(O)c(Br)c1)=N/O

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.89
▸ AURKA O14965 1/20 0.89
▸ NUAK1 O60285 1/20 0.89
▸ EGFR P00533 1/20 0.89
▸ ERBB2 P04626 1/20 0.89
▸ INSR P06213 1/20 0.89
▸ IGF1R P08069 1/20 0.89
▸ MET P08581 1/20 0.89
▸ PDGFRB P09619 1/20 0.89
▸ CDK4 P11802 1/20 0.89
▸ SRC P12931 1/20 0.89
▸ BRAF P15056 1/20 0.89
▸ CCNA2 P20248 1/20 0.89
▸ CCND1 P24385 1/20 0.89
▸ CDK2 P24941 1/20 0.89
▸ AKT1 P31749 1/20 0.89
▸ FLT4 P35916 1/20 0.89
▸ KDR P35968 1/20 0.89
▸ FLT3 P36888 1/20 0.89
▸ MAP3K8 P41279 1/20 0.89

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
SCHEMBL6797800 0.95 PLK4 (0.80) PLK4AURKANUAK1EGFRERBB2
Hemibastadin 1 SCHEMBL4751505 0.94 PLK4 (0.82) PLK4AURKANUAK1EGFRERBB2
SCHEMBL30988765 0.90 PLK4 (0.71) PLK4AURKANUAK1EGFRERBB2
SCHEMBL14022014 0.85 PLK4 (0.65) PLK4AURKANUAK1EGFRERBB2
SCHEMBL28463571 0.83 HDAC1 (0.77) PLK4AURKANUAK1EGFRERBB2
SCHEMBL29940238 0.83 HDAC1 (0.77) PLK4AURKANUAK1EGFRERBB2
SCHEMBL28463572 0.83 HDAC1 (0.77) PLK4AURKANUAK1EGFRERBB2
SCHEMBL28449765 0.82 HDAC1 (0.75) PLK4AURKANUAK1EGFRERBB2
SCHEMBL29939752 0.82 HDAC1 (0.75) PLK4AURKANUAK1EGFRERBB2
SCHEMBL28449763 0.82 HDAC1 (0.75) PLK4AURKANUAK1EGFRERBB2

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
US-6734211-B1 FOR STIMULATING NERVE CELL GROWTH IN A SUBJECT COMPRISING ADMINISTERING TO THE SUBJECT A BASTADIN COMPOUND OR ITS ANALOGS OREGON HEALTH & SCIENCES UNIVERSITY 2004-05-11 — — US disclosed
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