SCHEMBL5879504

SCHEMBL5879504

COC(=O)CC1c2cscc2C(=O)N(OC(C)=O)c2cscc21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.30

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
SCHEMBL5879657 0.89 EGFR (0.37) GAAKMT2AEGFR
SCHEMBL5879694 0.75 EGFR (0.41) EGFR
SCHEMBL5879509 0.66 EGFR (0.41) GAAKMT2AEGFR
SCHEMBL5879532 0.64 KDR (0.37) KMT2A
SCHEMBL1675990 0.59 EGFR (0.56) GAAKMT2AEGFR
SCHEMBL2995782 0.58 CASP3 (0.45) KMT2A
SCHEMBL3672992 0.57 MAPT (0.40) GAA
SCHEMBL28482431 0.57 KMT2A (0.45) GAAKMT2AEGFR
SCHEMBL2990451 0.57 KMT2A (0.50) GAAKMT2A
SCHEMBL30037218 0.57 KMT2A (0.45) GAAKMT2AEGFR

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed