SCHEMBL2598671

SCHEMBL2598671

C=CC(=NO)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
CCR1 P32246 1/20 0.41
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SPR P35270 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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 0.91 GAA (0.43) GAACCR1LMNAPOLBTSHR
SCHEMBL2598706 0.90 GAA (0.47) GAACCR1LMNAPOLBTSHR
SCHEMBL2598573 0.90 GAA (0.42) GAACCR1LMNAPOLBTSHR
SCHEMBL2598635 0.88 GAA (0.47) GAACCR1LMNAPOLBTSHR
SCHEMBL2598636 0.88 GAA (0.47) GAACCR1LMNAPOLBTSHR
SCHEMBL15921573 0.87 GAA (0.46) GAACCR1LMNAPOLBTSHR
SCHEMBL15921575 0.87 GAA (0.46) GAACCR1LMNAPOLBTSHR
SCHEMBL2509441 0.86 GAA (0.50) GAACCR1LMNAPOLBTSHR
SCHEMBL121172 0.86 GAA (0.50) GAACCR1LMNAPOLBTSHR
SCHEMBL2599426 0.86 GAA (0.40) GAACCR1POLBTSHRKDM4E

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