SCHEMBL7752804

SCHEMBL7752804

Cc1cccc(CCON)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.42
NOS3 P29474 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
NOS1 P29475 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 3/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37

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
SCHEMBL9977688 0.82 SMN1; SMN2 (0.42) NOS2NOS3SMN1; SMN2CCR1CCR8
SCHEMBL24916774 0.81 CCR1 (0.52) NOS2NOS3SMN1; SMN2CCR1CCR8
SCHEMBL30201993 0.81 CCR1 (0.52) NOS2NOS3SMN1; SMN2CCR1CCR8
SCHEMBL6822761 0.80 NOS3 (0.45) NOS2NOS3SMN1; SMN2CCR1CCR8
SCHEMBL10144469 0.79 KCNH2 (0.54) NOS2NOS3SMN1; SMN2CCR1CCR8
SCHEMBL29484098 0.78 IRAK4 (0.47) NOS2NOS3SMN1; SMN2CCR1CCR8
SCHEMBL1028715 0.78 IRAK4 (0.47) NOS2NOS3SMN1; SMN2CCR1CCR8
SCHEMBL15173980 0.77 KCNH2 (0.50) SMN1; SMN2HDAC1HDAC8HDAC6KCNH2
SCHEMBL27633950 0.77 SMN1; SMN2 (0.42) NOS2NOS3SMN1; SMN2CCR1CCR8
SCHEMBL11079217 0.76 RAB9A (0.50) NOS2NOS3SMN1; SMN2HDAC1HDAC8

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
EP-1070052-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 2001-01-24 EP disclosed
WO-1999051579-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 1999-10-14 WO disclosed