SCHEMBL2598573

SCHEMBL2598573

C=CC(=NOC(C)=O)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CCR1 P32246 1/20 0.40
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PPARG P37231 1/20 0.32
HPGD P15428 2/20 0.32
CXCR3 P49682 1/20 0.32
SPR P35270 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2598654 0.92 GAA (0.43) GAACCR1TP53L3MBTL1LMNA
SCHEMBL2598671 0.90 GAA (0.44) GAACCR1TP53L3MBTL1LMNA
SCHEMBL2599432 0.87 CCR1 (0.38) GAACCR1POLBTSHRKDM4E
SCHEMBL2599430 0.87 CCR1 (0.38) GAACCR1POLBTSHRKDM4E
SCHEMBL2598706 0.86 GAA (0.47) GAACCR1TP53L3MBTL1LMNA
SCHEMBL2509441 0.84 GAA (0.50) GAACCR1TP53L3MBTL1LMNA
SCHEMBL8512452 0.84 GAA (0.49) GAACCR1TP53L3MBTL1LMNA
SCHEMBL2598636 0.83 GAA (0.47) GAACCR1TP53L3MBTL1LMNA
SCHEMBL2598635 0.83 GAA (0.47) GAACCR1TP53L3MBTL1LMNA
SCHEMBL12186082 0.83 GAA (0.48) GAACCR1TP53L3MBTL1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011146182-A1 FUNGICIDAL OXIMES AND HYDRAZONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-24 WO claimed
WO-2011146182-A1 FUNGICIDAL OXIMES AND HYDRAZONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-24 WO disclosed