SCHEMBL27879779

SCHEMBL27879779

CCC(c1ccccc1)N(C)C(=O)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.40
CCR1 P32246 2/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.34
CXCR3 P49682 2/20 0.34
KCNH2 Q12809 1/20 0.34
PPARG P37231 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.33
SPR P35270 1/20 0.33

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
SCHEMBL2584187 1.00 KDM4E (0.42) KDM4EGAACCR1POLBTSHR
SCHEMBL2587415 0.91 KDM4E (0.43) KDM4EGAACCR1POLBTSHR
SCHEMBL27879791 0.91 KDM4E (0.43) KDM4EGAACCR1POLBTSHR
SCHEMBL2580999 0.85 KDM4E (0.43) KDM4EGAACCR1POLBTSHR
SCHEMBL2599385 0.83 GAA (0.46) KDM4EGAACCR1POLBTSHR
SCHEMBL121172 0.83 GAA (0.50) KDM4EGAACCR1POLBTSHR
SCHEMBL1879572 0.81 GAA (0.48) KDM4EGAACCR1POLBTSHR
SCHEMBL2509441 0.81 GAA (0.50) KDM4EGAACCR1POLBTSHR
SCHEMBL1226982 0.81 KDM4E (0.45) KDM4EGAACCR1POLBTSHR
SCHEMBL775325 0.81 GAA (0.40) KDM4EGAACCR1POLBTSHR

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
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN disclosed